UCSF

ZINC43425001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.21 -0.87 -40.74 3 4 1 49 215.317 4
Hi High (pH 8-9.5) 0.21 -2.31 -4 2 4 0 45 214.309 4
Mid Mid (pH 6-8) 0.21 1.45 -102.28 4 4 2 51 216.325 4

Activity (Go SEA)

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