UCSF

ZINC00540300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 3.64 11.79 -15.96 0 5 0 56 333.178 2
Lo Low (pH 4.5-6) 3.64 12.31 -33.45 1 5 1 57 334.186 2

Activity (Go SEA)

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