UCSF

ZINC60377440

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2011 26 No

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) 3.90 14.49 -118.85 2 5 2 55 355.482 7
Hi High (pH 8-9.5) 3.90 10.27 -6.95 0 5 0 52 353.466 7
Mid Mid (pH 6-8) 3.90 12.25 -44.21 1 5 1 53 354.474 7

Activity (Go SEA)

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