UCSF

ZINC12007848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.34 11.23 -32.33 2 8 0 106 403.442 6
Mid Mid (pH 6-8) 3.80 10.89 -54.14 1 8 -1 109 402.434 6
Mid Mid (pH 6-8) 3.34 12.05 -14.98 2 8 0 106 403.442 6

Activity (Go SEA)

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