UCSF

ZINC45659058

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.74 3.83 -27.55 3 3 1 34 242.431 5
Hi High (pH 8-9.5) 1.74 2.45 -44.39 3 3 1 34 242.431 5
Hi High (pH 8-9.5) 1.74 4.87 -30.54 3 3 1 34 242.431 5
Mid Mid (pH 6-8) 1.74 4.86 -112.92 4 3 2 35 243.439 5
Mid Mid (pH 6-8) 1.74 4.19 -115.93 4 3 2 35 243.439 5

Activity (Go SEA)

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