UCSF

ZINC36233250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.90 3.57 -65.92 2 5 0 78 309.416 4
Hi High (pH 8-9.5) 1.90 2.15 -48.35 1 5 -1 73 308.408 4
Mid Mid (pH 6-8) 2.82 4.06 -61.62 3 5 1 79 310.424 3
Mid Mid (pH 6-8) 2.82 2.67 -15.37 2 5 0 74 309.416 3

Activity (Go SEA)

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