UCSF

ZINC42452447

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.58 1.96 -45.62 4 4 1 64 210.301 6
Hi High (pH 8-9.5) 0.58 1.56 -6.41 3 4 0 62 209.293 6
Mid Mid (pH 6-8) 0.58 2.28 -97.26 5 4 2 65 211.309 6

Activity (Go SEA)

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