UCSF

ZINC15777377

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 No

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) 3.35 6.27 -16.34 2 8 0 120 436.165 3
Ref Reference (pH 7) 3.35 6.41 -14.86 2 8 0 120 436.165 3
Mid Mid (pH 6-8) 3.81 4.67 -34.88 1 8 -1 123 435.157 3
Mid Mid (pH 6-8) 3.81 4.37 -41.35 1 8 -1 123 435.157 3

Activity (Go SEA)

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