UCSF

ZINC34836704

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.62 18.88 -112.63 2 5 2 30 473.709 9
Mid Mid (pH 6-8) 5.62 16.51 -37.54 1 5 1 29 472.701 9
Lo Low (pH 4.5-6) 5.62 18.8 -192.63 3 5 3 31 474.717 9

Activity (Go SEA)

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