UCSF

ZINC34536995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 2.92 11.83 -67.71 1 8 -1 104 456.494 6
Mid Mid (pH 6-8) 2.92 9.83 -16.83 2 8 0 101 457.502 6
Lo Low (pH 4.5-6) 0.18 9.84 -30.25 2 8 0 107 457.502 5

Activity (Go SEA)

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