UCSF

ZINC35732058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 3.19 8.83 -71.14 1 4 0 54 251.326 8
Hi High (pH 8-9.5) 3.19 6.3 -48.29 0 4 -1 53 250.318 8

Activity (Go SEA)

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