UCSF

ZINC12240987

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 36 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) 4.74 -1.03 -21.09 0 7 0 69 476.536 3
Mid Mid (pH 6-8) 4.74 -0.85 -39.3 1 7 1 71 477.544 3
Lo Low (pH 4.5-6) 4.74 -0.77 -43.51 1 7 1 71 477.544 3
Lo Low (pH 4.5-6) 4.74 -0.6 -106.16 2 7 2 72 478.552 3

Activity (Go SEA)

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