UCSF

ZINC36664887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 1.38 5.31 -48.32 0 4 -1 53 234.275 3
Mid Mid (pH 6-8) 1.38 7.3 -27.29 1 4 0 54 235.283 3

Activity (Go SEA)

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