UCSF

ZINC33812922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 2.17 6.7 -55.6 1 10 -1 124 510.567 10
Mid Mid (pH 6-8) 2.17 9.84 -77.6 2 10 0 125 511.575 10
Lo Low (pH 4.5-6) 2.17 8.54 -66.37 3 10 1 123 512.583 10

Activity (Go SEA)

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