UCSF

ZINC44516440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.68 8.21 -100.58 3 4 2 40 359.308 6
Hi High (pH 8-9.5) 2.68 6.95 -36.58 2 4 1 35 358.3 6

Activity (Go SEA)

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