UCSF

ZINC42476957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.85 0.24 -43.03 3 4 1 51 198.29 1
Hi High (pH 8-9.5) -0.85 -0.06 -7.99 2 4 0 50 197.282 1
Mid Mid (pH 6-8) -0.85 2.52 -96.23 4 4 2 52 199.298 1

Activity (Go SEA)

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