UCSF

ZINC36612940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 No

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) 2.12 8.67 -76.76 2 7 0 104 377.4 6
Mid Mid (pH 6-8) 2.12 8.18 -63.71 1 7 -1 102 376.392 6
Lo Low (pH 4.5-6) 2.12 7.91 -47.31 3 7 1 101 378.408 6

Activity (Go SEA)

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