UCSF

ZINC08739213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 2.87 -2.68 -53.41 4 7 1 94 424.569 4
Mid Mid (pH 6-8) 2.87 -2.47 -114.1 5 7 2 95 425.577 4

Activity (Go SEA)

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