UCSF

ZINC34525991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.01 4.76 -88.11 4 4 2 46 208.309 3
Hi High (pH 8-9.5) 1.01 3.47 -23.34 3 4 1 41 207.301 3
Hi High (pH 8-9.5) 1.01 3.12 -5.39 2 4 0 40 206.293 3
Mid Mid (pH 6-8) 1.01 4.43 -42.32 3 4 1 45 207.301 3

Activity (Go SEA)

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