UCSF

ZINC20256638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 27 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) 4.74 10.02 -40.38 2 3 1 28 359.493 5
Mid Mid (pH 6-8) 4.74 10.1 -37.29 2 3 1 28 359.493 5
Mid Mid (pH 6-8) 4.74 7.64 -7.97 1 3 0 27 358.485 5

Activity (Go SEA)

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