UCSF

ZINC05712646

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 27 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) 3.96 11.74 -34.06 1 5 1 54 373.358 4
Mid Mid (pH 6-8) 3.97 12.35 -34.2 2 5 1 57 373.358 4
Lo Low (pH 4.5-6) 3.96 11.59 -40.74 1 5 1 54 373.358 4

Activity (Go SEA)

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