UCSF

ZINC06316309

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 26 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) 6.35 10.55 -11.84 1 4 0 62 386.542 4
Mid Mid (pH 6-8) 5.43 10.23 -51.96 0 4 -1 61 385.534 5

Activity (Go SEA)

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