UCSF

ZINC43285074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 3.84 8.88 -38.9 3 2 1 30 372.327 6
Hi High (pH 8-9.5) 3.84 6.68 -2.89 2 2 0 29 371.319 6
Mid Mid (pH 6-8) 3.84 9.21 -125.57 4 2 2 32 373.335 6
Mid Mid (pH 6-8) 3.84 7.01 -46.25 3 2 1 31 372.327 6

Activity (Go SEA)

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