UCSF

ZINC13732748

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 15 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) -0.72 -0.29 -39.98 4 4 1 62 210.301 8
Lo Low (pH 4.5-6) -0.72 1.41 -179.53 6 4 3 68 212.317 8

Activity (Go SEA)

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