UCSF

ZINC41680072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.10 7.04 -91.44 4 4 2 50 283.46 6
Hi High (pH 8-9.5) 3.29 4.95 -34.57 3 4 1 56 282.452 6

Activity (Go SEA)

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