UCSF

ZINC19399758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 2.29 5.62 -38.2 1 3 1 21 254.785 4
Mid Mid (pH 6-8) 2.29 5.64 -43.89 1 3 1 21 254.785 4
Mid Mid (pH 6-8) 2.29 3.25 -4.12 0 3 0 19 253.777 4

Activity (Go SEA)

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