UCSF

ZINC37988789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.11 8.74 -49.29 2 4 1 44 272.372 6
Mid Mid (pH 6-8) 1.11 9.26 -87.2 3 4 2 45 273.38 6

Activity (Go SEA)

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