UCSF

ZINC36489217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 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) 3.38 9.17 -40.05 1 1 1 4 242.264 2
Hi High (pH 8-9.5) 3.38 6.61 -2.55 0 1 0 3 241.256 2

Activity (Go SEA)

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