UCSF

ZINC20217477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 1.14 4.81 -121.62 5 6 2 73 294.399 4
Hi High (pH 8-9.5) 1.14 2.8 -40.96 4 6 1 72 293.391 4
Hi High (pH 8-9.5) 1.14 0.24 -13.12 3 6 0 71 292.383 4
Mid Mid (pH 6-8) 1.14 2.53 -45.42 4 6 1 72 293.391 4

Activity (Go SEA)

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