UCSF

ZINC19770813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 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) 1.44 0.22 -8.65 2 5 0 56 308.422 7
Mid Mid (pH 6-8) 1.44 2.56 -43.62 3 5 1 57 309.43 7
Mid Mid (pH 6-8) 1.44 2.61 -37.78 3 5 1 57 309.43 7

Activity (Go SEA)

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