UCSF

ZINC36995025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.08 7.38 -34.26 2 3 1 26 263.405 5
Lo Low (pH 4.5-6) 2.08 8.13 -100.1 3 3 2 30 264.413 5

Activity (Go SEA)

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