UCSF

ZINC33949516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 13 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) 2.10 4.92 -41.33 3 3 1 54 188.291 7
Mid Mid (pH 6-8) 2.10 4.62 -2.91 2 3 0 52 187.283 7

Activity (Go SEA)

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