UCSF

ZINC17058130

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 29 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) 2.94 10.34 -60.78 0 5 -1 73 383.427 5
Mid Mid (pH 6-8) 3.38 10.72 -13.23 1 5 0 71 384.435 4
Mid Mid (pH 6-8) 2.35 10.71 -11.69 0 5 0 67 384.435 5
Lo Low (pH 4.5-6) 2.35 10.99 -42.15 1 5 1 69 385.443 5
Lo Low (pH 4.5-6) 3.38 11 -44.95 2 5 1 72 385.443 4

Activity (Go SEA)

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