UCSF

ZINC45658804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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
Hi High (pH 8-9.5) 0.02 1.89 -28.94 3 4 1 43 230.376 6
Hi High (pH 8-9.5) 0.02 0.24 -45.43 3 4 1 43 230.376 6
Hi High (pH 8-9.5) 0.02 2.01 -24.89 3 4 1 43 230.376 6
Mid Mid (pH 6-8) 0.02 3.81 -94.71 4 4 2 44 231.384 6
Mid Mid (pH 6-8) 0.02 2.26 -101.13 4 4 2 45 231.384 6

Activity (Go SEA)

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