UCSF

ZINC00639968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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 11.03 -18.25 1 6 0 74 436.504 10
Hi High (pH 8-9.5) 4.96 12.05 -55.49 0 6 -1 77 435.496 10

Activity (Go SEA)

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