UCSF

ZINC37799574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.92 3.93 -39.64 2 5 1 49 284.424 6
Hi High (pH 8-9.5) 0.92 2.88 -8.24 1 5 0 45 283.416 6
Mid Mid (pH 6-8) 0.92 6.14 -94.83 3 5 2 51 285.432 6

Activity (Go SEA)

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