UCSF

ZINC34591079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 4.42 13.97 -47.36 1 3 1 26 351.514 4
Mid Mid (pH 6-8) 4.42 11.73 -12.26 0 3 0 25 350.506 4

Activity (Go SEA)

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