UCSF

ZINC27855697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 12 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) 0.30 -1.94 -55.81 5 3 1 68 168.216 2
Hi High (pH 8-9.5) 0.30 -2.32 -8.96 4 3 0 66 167.208 2

Activity (Go SEA)

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