UCSF

ZINC44518814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 1.65 5.73 -79.55 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.65 6.39 -91.85 3 3 2 21 241.423 3
Lo Low (pH 4.5-6) 1.65 7.61 -170.88 4 3 3 25 242.431 3

Activity (Go SEA)

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