UCSF

ZINC34616653

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) -2.80 1.26 -35.05 3 5 0 94 147.13 4
Mid Mid (pH 6-8) -2.80 0.89 -42.2 2 5 -1 92 146.122 4

Activity (Go SEA)

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