UCSF

ZINC44514570

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) 1.26 5.76 -99.07 4 3 2 45 255.431 4
Hi High (pH 8-9.5) 1.26 3.49 -46.01 3 3 1 44 254.423 4

Activity (Go SEA)

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