UCSF

ZINC15959677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 38 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) 1.21 11.77 -58.82 3 10 -1 153 521.594 11
Hi High (pH 8-9.5) 1.67 10.4 -107.52 2 10 -2 156 520.586 11

Activity (Go SEA)

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