UCSF

ZINC19761469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 23 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) 1.76 8.53 -39.33 1 4 1 28 320.501 3
Lo Low (pH 4.5-6) 1.76 8.52 -36.22 1 4 1 28 320.501 3

Activity (Go SEA)

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