UCSF

ZINC13688485

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 1.96 1.24 -16.41 3 7 0 108 395.437 6
Hi High (pH 8-9.5) 1.96 1.3 -42.02 2 7 -1 110 394.429 6
Lo Low (pH 4.5-6) 2.89 1.38 -15.75 3 7 0 112 395.437 5

Activity (Go SEA)

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