UCSF

ZINC37821729

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.98 5.49 -42.03 2 4 1 40 254.398 6
Hi High (pH 8-9.5) 0.98 6.03 -42.52 2 4 1 37 254.398 6
Hi High (pH 8-9.5) 0.98 4.12 -6.61 1 4 0 36 253.39 6
Mid Mid (pH 6-8) 0.98 7.41 -100.04 3 4 2 41 255.406 6

Activity (Go SEA)

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