UCSF

ZINC25493651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.24 7.18 -18.49 1 4 0 68 246.262 3
Mid Mid (pH 6-8) 3.24 8.21 -55.12 0 4 -1 70 245.254 3

Activity (Go SEA)

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