UCSF

ZINC36754067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.95 -1.58 -39.49 3 5 1 69 197.262 2
Lo Low (pH 4.5-6) -1.95 -1.25 -111.18 4 5 2 71 198.27 2

Activity (Go SEA)

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