UCSF

ZINC71150242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 21 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) 1.24 4.99 -98.88 4 5 2 53 292.427 6
Hi High (pH 8-9.5) 1.24 3.63 -42.67 3 5 1 49 291.419 6

Activity (Go SEA)

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