UCSF

ZINC21701775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.34 0.68 -14.11 1 6 0 85 285.35 4
Hi High (pH 8-9.5) 1.34 0.31 -46.38 0 6 -1 87 284.342 4

Activity (Go SEA)

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