UCSF

ZINC22792969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.92 7.56 -34.67 2 3 1 28 317.497 5
Mid Mid (pH 6-8) 3.92 5.57 -4.79 1 3 0 27 316.489 5
Mid Mid (pH 6-8) 3.92 7.97 -32.12 2 3 1 28 317.497 5

Activity (Go SEA)

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