UCSF

ZINC20442080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 1.02 3.68 -117.47 4 3 2 35 239.407 2
Hi High (pH 8-9.5) 1.02 1.9 -45.7 3 3 1 34 238.399 2
Hi High (pH 8-9.5) 1.02 1.94 -0.58 2 3 0 32 237.391 2
Mid Mid (pH 6-8) 1.02 6.08 -95.6 4 3 2 35 239.407 2

Activity (Go SEA)

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