UCSF

ZINC00000336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 18 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) 4.96 9.92 -25.05 1 1 1 4 264.458 2
Hi High (pH 8-9.5) 4.96 7.34 -1.71 0 1 0 3 263.45 2

Activity (Go SEA)

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