UCSF

ZINC33135235

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 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) 1.23 7.89 -130.36 3 4 2 38 277.412 5
Mid Mid (pH 6-8) 1.23 5.97 -47.13 2 4 1 37 276.404 5
Mid Mid (pH 6-8) 1.23 3.51 -10.61 1 4 0 36 275.396 5
Mid Mid (pH 6-8) 1.23 5.4 -42.04 2 4 1 37 276.404 5

Activity (Go SEA)

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