UCSF

ZINC49568634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.66 7.83 -196.46 4 3 3 25 240.415 4
Hi High (pH 8-9.5) 1.66 3.47 -38.3 2 3 1 23 238.399 4
Hi High (pH 8-9.5) 1.66 2.25 -0.95 1 3 0 19 237.391 4
Hi High (pH 8-9.5) 1.66 4.8 -31.21 2 3 1 20 238.399 4
Mid Mid (pH 6-8) 1.66 6.02 -84.64 3 3 2 24 239.407 4

Activity (Go SEA)

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