UCSF

ZINC43231958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.00 3.52 -45.13 3 4 1 49 251.398 6
Mid Mid (pH 6-8) 1.00 5.66 -108.6 4 4 2 50 252.406 6
Mid Mid (pH 6-8) 1.00 5.41 -31.29 3 4 1 48 251.398 6

Activity (Go SEA)

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