UCSF

ZINC43416288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.59 3.79 -45.09 3 4 1 64 242.387 10
Hi High (pH 8-9.5) 0.59 2.45 -5.79 2 4 0 59 241.379 10
Mid Mid (pH 6-8) 0.59 5.27 -116.87 4 4 2 65 243.395 10

Activity (Go SEA)

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