UCSF

ZINC27325342

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 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) 0.57 3.87 -51.17 3 5 1 63 254.354 5
Hi High (pH 8-9.5) 0.57 1.66 -19.43 2 5 0 61 253.346 5

Activity (Go SEA)

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