UCSF

ZINC42453692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 24 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) 2.14 6.38 -10.36 1 5 0 50 325.391 3
Mid Mid (pH 6-8) 2.14 8.61 -48.11 2 5 1 51 326.399 3

Activity (Go SEA)

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