UCSF

ZINC19902257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.02 6.51 -5.92 1 3 0 34 242.322 5
Lo Low (pH 4.5-6) 3.02 6.92 -36.95 2 3 1 35 243.33 5

Activity (Go SEA)

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