UCSF

ZINC34572307

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) -2.50 7 -60.6 1 8 -1 114 357.39 11
Hi High (pH 8-9.5) -2.50 5.45 -116.98 0 8 -2 113 356.382 11
Mid Mid (pH 6-8) -2.50 7.11 -55.37 2 8 0 115 358.398 11

Activity (Go SEA)

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