UCSF

ZINC37981202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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 1.89 -48.79 1 6 -1 90 307.742 3
Lo Low (pH 4.5-6) 2.10 1.84 -14.94 2 6 0 88 308.75 3

Activity (Go SEA)

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