UCSF

ZINC42779233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.58 6.49 -87.52 3 4 2 42 253.39 7
Hi High (pH 8-9.5) 1.58 3.23 -6.65 1 4 0 40 251.374 7
Mid Mid (pH 6-8) 1.58 5.7 -36.74 2 4 1 41 252.382 7

Activity (Go SEA)

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