UCSF

ZINC26294560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 23 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) 1.75 2.99 -50.72 3 4 1 54 312.389 2
Mid Mid (pH 6-8) 1.75 1.2 -10.44 2 4 0 53 311.381 2

Activity (Go SEA)

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