UCSF

ZINC02942641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 20 No

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) 1.84 5.34 -8.12 2 7 0 92 271.28 5
Lo Low (pH 4.5-6) 1.84 5.2 -33.06 3 7 1 93 272.288 5

Activity (Go SEA)

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