UCSF

ZINC06274352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 15 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) 2.40 4.11 -8.05 2 4 0 62 203.245 3
Hi High (pH 8-9.5) 2.40 4.82 -51.91 1 4 -1 65 202.237 3

Activity (Go SEA)

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