UCSF

ZINC07844012

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) 3.20 5.57 -9.53 2 5 0 63 317.414 5
Lo Low (pH 4.5-6) 3.38 3.21 -31.84 3 5 1 68 318.422 5
Lo Low (pH 4.5-6) 3.20 5.92 -35.89 3 5 1 64 318.422 5

Activity (Go SEA)

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