UCSF

ZINC43461375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 1.16 7.58 -79.46 3 5 2 48 288.395 5
Hi High (pH 8-9.5) 1.16 5.78 -8.35 1 5 0 42 286.379 5
Mid Mid (pH 6-8) 1.16 7.11 -48.55 2 5 1 47 287.387 5

Activity (Go SEA)

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