UCSF

ZINC20280791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 1.52 5.7 -51.25 1 10 -1 128 484.529 9
Mid Mid (pH 6-8) 1.52 7.96 -64.82 2 10 0 129 485.537 9
Lo Low (pH 4.5-6) 1.52 7.21 -50.35 3 10 1 127 486.545 9

Activity (Go SEA)

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