UCSF

ZINC01539403

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 19 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) 1.99 8.78 -11.04 0 6 0 62 262.313 5
Mid Mid (pH 6-8) 1.99 9.26 -46.62 1 6 1 63 263.321 5

Activity (Go SEA)

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