UCSF

ZINC34603598

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) 0.00 8 -108.81 3 7 0 102 411.38 4
Mid Mid (pH 6-8) 0.00 7.81 -70.91 2 7 -1 101 410.372 4
Mid Mid (pH 6-8) 0.00 5.99 -62.53 4 7 1 99 412.388 4
Lo Low (pH 4.5-6) -2.74 6.02 -84.34 4 7 1 105 412.388 3

Activity (Go SEA)

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