UCSF

ZINC34938145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.35 5.28 -54.89 3 4 1 62 252.363 6
Mid Mid (pH 6-8) 2.35 3.37 -21.37 2 4 0 58 251.355 6

Activity (Go SEA)

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