UCSF

ZINC05687032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 4.96 8.36 -10.08 2 4 0 58 342.398 4
Mid Mid (pH 6-8) 4.96 8.81 -30.64 3 4 1 59 343.406 4
Mid Mid (pH 6-8) 4.96 8.35 -9.64 2 4 0 58 342.398 4

Activity (Go SEA)

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