UCSF

ZINC37991796

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) 1.73 2.29 -7.83 1 5 0 54 318.204 4
Mid Mid (pH 6-8) 1.73 4.68 -48.5 2 5 1 56 319.212 4

Activity (Go SEA)

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