UCSF

ZINC08624681

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 22 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) 1.73 -0.76 -17.91 1 5 0 68 298.342 7
Lo Low (pH 4.5-6) 1.73 -0.7 -50.26 2 5 1 69 299.35 7

Activity (Go SEA)

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