UCSF

ZINC35497422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 16 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) 4.14 8.16 -39.52 2 1 1 17 317.297 3
Mid Mid (pH 6-8) 4.14 7.33 -3.42 1 1 0 12 316.289 3

Activity (Go SEA)

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