UCSF

ZINC36857535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.33 3.56 -49.6 4 4 1 62 287.181 3
Mid Mid (pH 6-8) 1.33 3.21 -5.67 3 4 0 60 286.173 3

Activity (Go SEA)

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