UCSF

ZINC39510204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 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) 0.47 0.01 -10.73 1 7 0 64 366.458 8
Mid Mid (pH 6-8) 0.47 2.32 -43.95 2 7 1 65 367.466 8
Lo Low (pH 4.5-6) 0.47 4.58 -90.49 3 7 2 66 368.474 8

Activity (Go SEA)

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