UCSF

ZINC34146333

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) -0.36 1.27 -45.03 4 4 1 68 223.296 5
Mid Mid (pH 6-8) -0.36 0.95 -10.09 3 4 0 67 222.288 5

Activity (Go SEA)

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