UCSF

ZINC36876846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.15 8.05 -44.37 4 3 1 56 286.443 6
Hi High (pH 8-9.5) 2.15 7.79 -7.11 3 3 0 55 285.435 6
Lo Low (pH 4.5-6) 2.15 8.65 -118.54 5 3 2 58 287.451 6

Activity (Go SEA)

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