UCSF

ZINC19977387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 0.89 2.77 -44.88 3 4 1 49 252.313 3
Mid Mid (pH 6-8) 0.89 3.53 -33.92 3 4 1 46 252.313 3
Lo Low (pH 4.5-6) 0.89 4.92 -115.55 4 4 2 50 253.321 3

Activity (Go SEA)

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