UCSF

ZINC34575106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 3.38 5.08 -13.34 2 7 0 90 366.373 6
Mid Mid (pH 6-8) 3.38 6.14 -55.11 1 7 -1 93 365.365 6
Mid Mid (pH 6-8) 3.38 6.61 -46.31 2 7 0 94 366.373 6
Lo Low (pH 4.5-6) 3.38 5.56 -48.35 3 7 1 91 367.381 6

Activity (Go SEA)

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