UCSF

ZINC34603273

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 1.36 10.62 -112.1 3 6 0 93 405.445 4
Mid Mid (pH 6-8) 1.36 8.6 -65.02 4 6 1 90 406.453 4
Lo Low (pH 4.5-6) -1.38 7.39 -98.41 4 6 1 96 406.453 3

Activity (Go SEA)

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