UCSF

ZINC62967775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 2.65 6.89 -30.23 1 2 1 8 284.221 3
Hi High (pH 8-9.5) 2.65 4.58 -2.59 0 2 0 6 283.213 3
Mid Mid (pH 6-8) 2.65 6.96 -34.76 1 2 1 8 284.221 3
Lo Low (pH 4.5-6) 2.65 9.28 -101.4 2 2 2 9 285.229 3

Activity (Go SEA)

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