UCSF

ZINC34603268

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) 0.86 9.98 -116.79 3 6 0 93 391.418 3
Mid Mid (pH 6-8) 0.86 7.97 -69.36 4 6 1 90 392.426 3
Lo Low (pH 4.5-6) -1.89 6.97 -96.74 4 6 1 96 392.426 2

Activity (Go SEA)

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