UCSF

ZINC36734538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 2.91 9.4 -52.02 1 4 1 28 356.465 4
Mid Mid (pH 6-8) 2.91 7.01 -7.69 0 4 0 27 355.457 4
Lo Low (pH 4.5-6) 2.91 11.49 -107.83 2 4 2 29 357.473 4

Activity (Go SEA)

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