UCSF

ZINC37871537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 3.72 8.24 -4.45 1 2 0 25 268.404 6
Mid Mid (pH 6-8) 3.72 8.69 -32.72 2 2 1 26 269.412 6
Lo Low (pH 4.5-6) 3.72 9.59 -48.04 2 2 1 29 269.412 6

Activity (Go SEA)

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