UCSF

ZINC43915322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.75 3.64 -42.15 2 4 1 38 253.366 8
Hi High (pH 8-9.5) 1.75 1.9 -4.3 1 4 0 34 252.358 8
Mid Mid (pH 6-8) 1.75 4.53 -34.5 2 4 1 35 253.366 8

Activity (Go SEA)

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