UCSF

ZINC34684368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 2.14 7.56 -54.46 1 10 1 99 485.561 8
Mid Mid (pH 6-8) 2.14 7.58 -54.53 1 10 1 99 485.561 8
Mid Mid (pH 6-8) 2.14 5.3 -12.5 0 10 0 98 484.553 8

Activity (Go SEA)

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