UCSF

ZINC03421026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 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) 2.13 5.63 -21.88 2 6 0 84 334.426 6
Hi High (pH 8-9.5) 2.20 3.95 -55.75 1 6 -1 90 333.418 6

Activity (Go SEA)

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