UCSF

ZINC36981126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.50 5.81 -37.12 3 4 1 63 266.361 7
Hi High (pH 8-9.5) 3.50 5.05 -7.2 2 4 0 59 265.353 7

Activity (Go SEA)

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