UCSF

ZINC42449705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.78 5.35 -44.47 1 5 1 58 254.354 5
Mid Mid (pH 6-8) 0.78 3.7 -10.55 0 5 0 57 253.346 5

Activity (Go SEA)

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