UCSF

ZINC34825001

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 2.20 7.39 -36.43 2 4 1 38 253.414 6
Hi High (pH 8-9.5) 2.20 6.31 -23.22 2 4 1 34 253.414 6
Hi High (pH 8-9.5) 2.20 6.19 -4.63 1 4 0 33 252.406 6
Mid Mid (pH 6-8) 2.20 7.61 -89.65 3 4 2 39 254.422 6

Activity (Go SEA)

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