UCSF

ZINC02388390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 34 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) 1.09 14.23 -28.17 3 7 1 93 456.57 4
Mid Mid (pH 6-8) 0.77 2.08 -14.24 1 6 0 76 342.392 3

Activity (Go SEA)

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