UCSF

ZINC19795665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 1.49 6.74 -8.86 2 3 0 46 325.17 2
Lo Low (pH 4.5-6) 1.49 7.05 -50.5 3 3 1 48 326.178 2

Activity (Go SEA)

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