UCSF

ZINC36732104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.53 0.12 -50.03 4 5 1 69 258.386 10
Mid Mid (pH 6-8) -0.53 1.94 -33.3 4 5 1 69 258.386 10

Activity (Go SEA)

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