UCSF

ZINC16732580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

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) 4.67 12.82 -70.4 1 6 0 74 513.432 11
Hi High (pH 8-9.5) 4.67 10.6 -55.3 0 6 -1 73 512.424 11
Mid Mid (pH 6-8) 5.12 11.7 -60.54 2 6 1 71 514.44 10
Mid Mid (pH 6-8) 4.09 12.73 -63.66 1 6 1 68 514.44 11

Activity (Go SEA)

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