UCSF

ZINC72195419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 4.23 -46.19 2 3 -1 66 252.599 3
Lo Low (pH 4.5-6) 0.53 4.57 -77.92 3 3 0 68 253.607 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.