UCSF

ZINC53651776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.47 7.34 -42.28 2 4 1 38 265.425 6
Mid Mid (pH 6-8) 1.47 7.7 -85.19 3 4 2 39 266.433 6
Mid Mid (pH 6-8) 1.47 9.18 -125.66 3 4 2 39 266.433 6
Lo Low (pH 4.5-6) 1.47 9.65 -198.08 4 4 3 40 267.441 6

Activity (Go SEA)

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