UCSF

ZINC36721927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.12 -1.38 -15.17 3 6 0 106 292.382 5
Mid Mid (pH 6-8) 1.12 -1.31 -43.94 2 6 -1 108 291.374 5

Activity (Go SEA)

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