UCSF

ZINC36612986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 31 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) 4.91 8.55 -11.83 1 7 0 94 451.269 4
Mid Mid (pH 6-8) 4.98 7.06 -38.12 0 7 -1 100 450.261 4

Activity (Go SEA)

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