UCSF

ZINC19360148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.04 8.97 -34.14 1 3 1 17 297.422 5
Mid Mid (pH 6-8) 3.04 8.91 -35 1 3 1 17 297.422 5
Mid Mid (pH 6-8) 3.04 6.58 -4.62 0 3 0 16 296.414 5

Activity (Go SEA)

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