UCSF

ZINC47000228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2010 21 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) 1.21 3.2 -15.89 2 5 0 67 289.379 5
Mid Mid (pH 6-8) 1.21 5.42 -59.44 3 5 1 68 290.387 5

Activity (Go SEA)

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