UCSF

ZINC43912507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 1.66 4.16 -33.3 2 4 1 38 279.404 8
Mid Mid (pH 6-8) 1.66 4.19 -3.16 1 4 0 34 278.396 8
Mid Mid (pH 6-8) 1.66 6 -104.21 3 4 2 40 280.412 8

Activity (Go SEA)

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