UCSF

ZINC36876299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.07 3.85 -49.65 4 4 1 66 232.307 5
Lo Low (pH 4.5-6) 1.07 4.3 -105.16 5 4 2 67 233.315 5

Activity (Go SEA)

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