UCSF

ZINC29894540

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 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) 2.50 9.27 -44.26 3 7 1 94 455.535 6
Mid Mid (pH 6-8) 3.15 9.41 -24.8 2 7 0 93 454.527 5

Activity (Go SEA)

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