UCSF

ZINC53117222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 3.54 6.44 -31.44 3 2 1 37 268.446 5
Mid Mid (pH 6-8) 3.54 5.18 -3.91 2 2 0 32 267.438 5

Activity (Go SEA)

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