UCSF

ZINC50723430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 21 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) 1.98 4.59 -7.95 1 5 0 48 310.829 5
Mid Mid (pH 6-8) 1.98 6.79 -47.93 2 5 1 50 311.837 5

Activity (Go SEA)

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