UCSF

ZINC42779312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 No

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) 3.31 7.65 -7.65 0 3 0 29 241.766 4
Lo Low (pH 4.5-6) 3.31 7.8 -28.05 1 3 1 30 242.774 4

Activity (Go SEA)

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