UCSF

ZINC34658201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 2.70 8.99 -79.49 3 3 2 30 264.413 9
Hi High (pH 8-9.5) 2.70 6.5 -37.84 2 3 1 29 263.405 9

Activity (Go SEA)

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