UCSF

ZINC38424428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 0.11 10.74 -94.62 1 7 0 79 375.4 3
Hi High (pH 8-9.5) 0.11 8.53 -62.86 0 7 -1 78 374.392 3
Mid Mid (pH 6-8) 0.11 8.73 -52.39 2 7 1 76 376.408 3
Lo Low (pH 4.5-6) -2.63 8.88 -72.6 2 7 1 82 376.408 2

Activity (Go SEA)

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