UCSF

ZINC36981074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.59 5.67 -37.47 3 4 1 63 286.779 7
Hi High (pH 8-9.5) 3.59 5.16 -41.14 1 4 -1 61 284.763 7
Hi High (pH 8-9.5) 3.59 6.43 -24.95 2 4 0 66 285.771 7
Mid Mid (pH 6-8) 3.59 4.66 -6.02 2 4 0 59 285.771 7

Activity (Go SEA)

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