UCSF

ZINC20078320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 2.99 5.8 -5.15 1 1 0 12 211.667 3
Mid Mid (pH 6-8) 2.99 7.08 -47.13 2 1 1 17 212.675 3

Activity (Go SEA)

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