UCSF

ZINC43896362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 4.30 10.09 -110.44 3 2 2 21 264.457 7
Mid Mid (pH 6-8) 4.30 9.24 -30.53 2 2 1 16 263.449 7
Mid Mid (pH 6-8) 4.30 8.3 -38.42 2 2 1 20 263.449 7

Activity (Go SEA)

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