UCSF

ZINC45286289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 25 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) 4.70 6.27 -10.39 1 5 0 65 342.391 8
Hi High (pH 8-9.5) 4.70 7.04 -51.52 0 5 -1 68 341.383 8

Activity (Go SEA)

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