UCSF

ZINC02472308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 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) 3.99 4.93 -9.84 2 4 0 62 324.565 1
Hi High (pH 8-9.5) 3.99 5.14 -33.17 1 4 -1 60 323.557 1

Activity (Go SEA)

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