UCSF

ZINC52076374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.62 9.58 -46.18 1 3 1 30 293.337 5
Mid Mid (pH 6-8) 2.62 7.51 -9.88 0 3 0 29 292.329 5

Activity (Go SEA)

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