UCSF

ZINC39490421

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 27 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) 3.18 6.62 -33.98 2 4 1 31 374.593 6
Mid Mid (pH 6-8) 3.18 6.53 -34.1 2 4 1 31 374.593 6
Lo Low (pH 4.5-6) 3.18 8.89 -88.13 3 4 2 32 375.601 6
Lo Low (pH 4.5-6) 3.18 8.74 -100.32 3 4 2 32 375.601 6

Activity (Go SEA)

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