UCSF

ZINC12032511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 23 No

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) 5.07 7.96 -7.99 1 4 0 54 324.405 4
Mid Mid (pH 6-8) 4.58 7.81 -43.14 0 4 -1 53 323.397 5

Activity (Go SEA)

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