UCSF

ZINC02290328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 33 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) 2.84 7.61 -30.69 4 9 1 119 444.471 6
Hi High (pH 8-9.5) 2.84 7.22 -19.12 3 9 0 117 443.463 6

Activity (Go SEA)

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