UCSF

ZINC23371215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 3.64 7.29 -56.87 0 6 -1 87 369.422 6
Mid Mid (pH 6-8) 3.64 7.83 -41.39 1 6 0 89 370.43 6
Lo Low (pH 4.5-6) 3.64 7.27 -15.06 1 6 0 85 370.43 6

Activity (Go SEA)

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