UCSF

ZINC00360204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.26 9.98 -32.01 2 4 1 35 341.475 6
Hi High (pH 8-9.5) 4.26 9.32 -6.5 1 4 0 34 340.467 6

Activity (Go SEA)

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