UCSF

ZINC58394358

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 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) 0.95 6.99 -35.27 2 6 1 47 334.488 5
Lo Low (pH 4.5-6) 0.95 8.23 -109.68 3 6 2 51 335.496 5

Activity (Go SEA)

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