UCSF

ZINC34962164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 1.35 5.54 -99.16 3 3 2 36 183.299 4
Hi High (pH 8-9.5) 1.35 3.87 -5.55 1 3 0 30 181.283 4
Mid Mid (pH 6-8) 1.35 5.08 -36.45 2 3 1 34 182.291 4

Activity (Go SEA)

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