UCSF

ZINC37095744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.17 1.41 -44.43 3 3 1 40 215.361 6
Hi High (pH 8-9.5) 1.17 2.13 -1.92 2 3 0 38 214.353 6
Mid Mid (pH 6-8) 1.17 3.81 -29.54 3 3 1 40 215.361 6
Mid Mid (pH 6-8) 1.17 4.05 -119.97 4 3 2 41 216.369 6

Activity (Go SEA)

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