UCSF

ZINC43800246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -2.84 1.5 -85.84 2 7 0 90 257.29 3
Hi High (pH 8-9.5) -2.84 0.14 -49.99 1 7 -1 85 256.282 3
Mid Mid (pH 6-8) -2.84 2.28 -42.7 2 7 0 86 257.29 3
Mid Mid (pH 6-8) -2.84 3.64 -98.42 3 7 1 91 258.298 3

Activity (Go SEA)

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