UCSF

ZINC08657339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2007 31 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) 7.24 14.61 -9.74 1 3 0 38 402.497 5
Ref Reference (pH 7) 7.24 14.61 -9.79 1 3 0 38 402.497 5
Mid Mid (pH 6-8) 7.24 15.06 -30.27 2 3 1 39 403.505 5
Mid Mid (pH 6-8) 7.24 15.07 -30.32 2 3 1 39 403.505 5

Activity (Go SEA)

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