UCSF

ZINC00593092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 33 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) 4.33 -2.29 -20.13 3 6 0 93 434.499 5
Mid Mid (pH 6-8) 4.33 -2.09 -43.98 4 6 1 95 435.507 5
Lo Low (pH 4.5-6) 4.33 -2.02 -102.67 5 6 2 96 436.515 5
Lo Low (pH 4.5-6) 4.33 -2.22 -37.32 4 6 1 95 435.507 5

Activity (Go SEA)

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