UCSF

ZINC07849032

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 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) 2.93 2.55 -11.63 1 6 0 70 367.199 5
Lo Low (pH 4.5-6) 2.93 3.27 -42.37 2 6 1 71 368.207 5

Activity (Go SEA)

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