UCSF

ZINC00423283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 0.11 -5.52 -18.05 3 8 0 128 323.33 4
Hi High (pH 8-9.5) 0.11 -4.94 -47.13 2 8 -1 131 322.322 4

Activity (Go SEA)

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