UCSF

ZINC08738166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 28 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) 1.30 -3.1 -54.6 4 7 1 94 386.451 3
Mid Mid (pH 6-8) 1.30 -2.88 -115.2 5 7 2 95 387.459 3

Activity (Go SEA)

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