UCSF

ZINC20421128

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 No

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) 1.32 6.04 -10.49 1 6 0 84 244.254 5
Mid Mid (pH 6-8) 1.32 6.48 -41.7 2 6 1 85 245.262 5

Activity (Go SEA)

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