UCSF

ZINC34590996

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 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) 2.91 8.82 -39.87 2 4 1 47 305.442 5
Mid Mid (pH 6-8) 2.91 6.48 -11.45 1 4 0 45 304.434 5

Activity (Go SEA)

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