UCSF

ZINC34603332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 0.80 8.37 -104.13 3 7 0 102 389.427 3
Mid Mid (pH 6-8) 0.80 6.36 -61.99 4 7 1 99 390.435 3
Lo Low (pH 4.5-6) -1.94 6.49 -85.14 4 7 1 105 390.435 2

Activity (Go SEA)

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