UCSF

ZINC13436474

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 11 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) 0.37 4.21 -30.58 5 4 1 77 151.193 2
Mid Mid (pH 6-8) 0.37 3.99 -9.02 5 4 0 76 151.193 2
Mid Mid (pH 6-8) 0.55 2.84 -9.33 4 4 0 78 150.185 1
Lo Low (pH 4.5-6) 0.37 4.3 -95.45 6 4 2 78 152.201 2

Activity (Go SEA)

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