UCSF

ZINC43402323

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.18 1.88 -98.22 4 6 2 74 285.436 8
Hi High (pH 8-9.5) 1.18 1.63 -39.6 3 6 1 73 284.428 8
Mid Mid (pH 6-8) 1.18 4.36 -186.96 5 6 3 75 286.444 8

Activity (Go SEA)

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