UCSF

ZINC34676995

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 4.17 15.23 -14.01 0 6 0 53 459.516 4
Mid Mid (pH 6-8) 4.17 15.4 -35.23 1 6 1 54 460.524 4

Activity (Go SEA)

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