UCSF

ZINC34981066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.58 2.41 -51.95 4 4 1 70 248.331 3
Hi High (pH 8-9.5) 0.58 2.01 -16.06 3 4 0 68 247.323 3

Activity (Go SEA)

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