UCSF

ZINC12748013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.12 9.78 -45.76 3 7 1 79 479.432 7
Mid Mid (pH 6-8) 4.12 7.31 -11.84 2 7 0 78 478.424 7

Activity (Go SEA)

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