UCSF

ZINC45701943

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) -0.67 2.88 -105.26 4 5 2 68 220.313 9
Hi High (pH 8-9.5) -0.67 2.1 -29.01 2 5 0 66 218.297 9
Mid Mid (pH 6-8) -0.67 3.43 -46.24 3 5 1 70 219.305 9
Mid Mid (pH 6-8) -0.67 1.57 -37.5 3 5 1 63 219.305 9

Activity (Go SEA)

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