UCSF

ZINC37803056

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.32 1.12 -48.43 4 6 1 80 297.423 7
Mid Mid (pH 6-8) 0.32 0.79 -13.63 3 6 0 79 296.415 7
Lo Low (pH 4.5-6) 0.32 3.27 -105.27 5 6 2 81 298.431 7

Activity (Go SEA)

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