UCSF

ZINC40592205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 1.13 4.05 -40.57 2 3 1 33 220.34 4
Hi High (pH 8-9.5) 1.13 4.97 -33.28 2 3 1 29 220.34 4
Mid Mid (pH 6-8) 1.13 4.78 -79.08 3 3 2 34 221.348 4

Activity (Go SEA)

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