UCSF

ZINC62142193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 1.10 2.11 -43.36 0 7 -1 93 316.355 10
Lo Low (pH 4.5-6) 1.10 1.95 -13.55 1 7 0 91 317.363 10

Activity (Go SEA)

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