UCSF

ZINC34825000

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 7.17 -35.99 2 4 1 38 253.414 6
Hi High (pH 8-9.5) 2.20 6.17 -23.27 2 4 1 34 253.414 6
Hi High (pH 8-9.5) 2.20 6.04 -4.65 1 4 0 33 252.406 6
Mid Mid (pH 6-8) 2.20 7.57 -89.64 3 4 2 39 254.422 6

Activity (Go SEA)

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