UCSF

ZINC41656015

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.14 6.7 -52.63 0 4 -1 56 334.193 1
Mid Mid (pH 6-8) 3.14 9.13 -56.68 1 4 0 57 335.201 1

Activity (Go SEA)

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