UCSF

ZINC21799814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.81 9.09 -40.72 2 2 1 20 291.503 9
Mid Mid (pH 6-8) 3.81 9.94 -31.22 2 2 1 16 291.503 9
Lo Low (pH 4.5-6) 3.81 11.16 -118.42 3 2 2 21 292.511 9

Activity (Go SEA)

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