UCSF

ZINC37988508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 No

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) 1.18 5.03 -42.52 2 2 1 29 217.383 6
Mid Mid (pH 6-8) 1.18 3.67 -5.43 1 2 0 25 216.375 6

Activity (Go SEA)

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