UCSF

ZINC44122267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.95 7.62 -38.42 2 2 1 25 242.342 4
Hi High (pH 8-9.5) 2.95 5.1 -5.18 1 2 0 23 241.334 4

Activity (Go SEA)

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