UCSF

ZINC45664294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 0.49 5.1 -175.67 5 3 3 38 202.366 6
Mid Mid (pH 6-8) 0.49 3.9 -80.53 4 3 2 33 201.358 6
Lo Low (pH 4.5-6) 0.49 3.74 -91.06 4 3 2 33 201.358 6

Activity (Go SEA)

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