UCSF

ZINC48363359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 2.46 2.86 -11.74 2 5 0 62 292.379 6
Hi High (pH 8-9.5) 2.46 3.87 -56.99 1 5 -1 65 291.371 6
Mid Mid (pH 6-8) 2.46 5.13 -46.3 3 5 1 63 293.387 6

Activity (Go SEA)

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