UCSF

ZINC57995922

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 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) 2.83 8.55 -15.14 1 6 0 65 367.449 8
Mid Mid (pH 6-8) 2.83 9.04 -36.24 2 6 1 67 368.457 8

Activity (Go SEA)

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