UCSF

ZINC45698936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 0.35 3.93 -91.43 3 3 2 24 189.347 8
Hi High (pH 8-9.5) 0.35 2.57 -33.21 2 3 1 20 188.339 8
Mid Mid (pH 6-8) 0.35 6.39 -173.89 4 3 3 25 190.355 8
Mid Mid (pH 6-8) 0.35 5.03 -76.1 3 3 2 21 189.347 8

Activity (Go SEA)

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