UCSF

ZINC41680315

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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 5.84 -95.14 4 4 2 52 245.411 9
Mid Mid (pH 6-8) 1.38 5.52 -36.43 3 4 1 51 244.403 9

Activity (Go SEA)

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