UCSF

ZINC19799526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 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) 1.71 8.15 -51.18 1 5 1 51 303.382 4
Mid Mid (pH 6-8) 1.71 5.89 -10.19 0 5 0 50 302.374 4

Activity (Go SEA)

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