UCSF

ZINC19606987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 20 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) 1.57 3.84 -36.49 2 4 1 37 299.822 7
Mid Mid (pH 6-8) 1.57 3.84 -43.89 2 4 1 37 299.822 7
Mid Mid (pH 6-8) 1.57 1.45 -7.07 1 4 0 36 298.814 7

Activity (Go SEA)

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