UCSF

ZINC38220979

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 15 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) 0.59 4.52 -50.45 4 3 1 67 200.265 3
Mid Mid (pH 6-8) 0.59 4.26 -11.21 3 3 0 66 199.257 3

Activity (Go SEA)

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