UCSF

ZINC13127692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 4.66 9.38 -11.58 1 5 0 58 349.434 3
Mid Mid (pH 6-8) 4.66 10.29 -61.67 0 5 -1 61 348.426 3
Mid Mid (pH 6-8) 4.66 9.63 -27.28 2 5 1 60 350.442 3
Lo Low (pH 4.5-6) 4.40 11.1 -41.11 2 5 1 59 350.442 2

Activity (Go SEA)

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