UCSF

ZINC35311290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 1.47 3.63 -14.81 1 6 0 67 328.463 6
Hi High (pH 8-9.5) 1.66 2.18 -46.53 0 6 -1 74 327.455 6
Mid Mid (pH 6-8) 1.47 5.91 -48.06 2 6 1 69 329.471 6

Activity (Go SEA)

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