UCSF

ZINC02960037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 2.61 5.22 -24.35 2 6 0 88 343.408 4
Hi High (pH 8-9.5) 1.96 -4.88 -45.92 1 6 -1 89 342.4 4

Activity (Go SEA)

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