UCSF

ZINC34991946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.62 9.15 -47.53 2 4 1 38 285.415 6
Mid Mid (pH 6-8) 1.62 10.95 -128.61 3 4 2 39 286.423 6
Mid Mid (pH 6-8) 1.62 9.68 -35.92 2 4 1 34 285.415 6
Mid Mid (pH 6-8) 1.62 10.2 -72.38 3 4 2 36 286.423 6
Lo Low (pH 4.5-6) 1.62 11.46 -178.21 4 4 3 40 287.431 6

Activity (Go SEA)

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