UCSF

ZINC37056693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.35 6.82 -7.45 1 3 0 30 279.746 2
Lo Low (pH 4.5-6) 3.35 7.24 -33.01 2 3 1 31 280.754 2

Activity (Go SEA)

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