UCSF

ZINC42900731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.64 3.42 -118.64 6 4 2 75 263.385 4
Hi High (pH 8-9.5) 0.64 3.11 -38.64 5 4 1 74 262.377 4
Mid Mid (pH 6-8) 0.64 2.03 -46.24 5 4 1 74 262.377 4

Activity (Go SEA)

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