UCSF

ZINC12027546

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 0.44 -0.17 -31.21 0 8 0 79 449.555 6
Mid Mid (pH 6-8) 0.44 0.11 -57.3 1 8 1 80 450.563 6

Activity (Go SEA)

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