UCSF

ZINC37980637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 5.01 9.99 -43.89 2 1 1 17 343.647 4
Mid Mid (pH 6-8) 5.01 8.84 -4.53 1 1 0 12 342.639 4

Activity (Go SEA)

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