UCSF

ZINC13591369

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 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) 3.05 7.83 -23.36 1 8 0 94 457.552 7
Mid Mid (pH 6-8) 3.51 8.02 -45.14 1 8 0 98 457.552 7
Mid Mid (pH 6-8) 3.05 8.23 -17.42 1 8 0 94 457.552 7
Lo Low (pH 4.5-6) 3.05 10.36 -64.7 2 8 1 95 458.56 7

Activity (Go SEA)

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