UCSF

ZINC43901342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 1.52 2.45 -37 2 3 1 29 241.277 5
Hi High (pH 8-9.5) 1.52 1.34 -2.64 1 3 0 24 240.269 5
Mid Mid (pH 6-8) 1.52 4.32 -114.68 3 3 2 30 242.285 5

Activity (Go SEA)

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