UCSF

ZINC34678140

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 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) 1.88 3.68 -38.83 2 7 1 72 373.477 8
Mid Mid (pH 6-8) 1.88 3.71 -44.31 2 7 1 72 373.477 8
Mid Mid (pH 6-8) 1.88 1.41 -8.98 1 7 0 71 372.469 8

Activity (Go SEA)

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