UCSF

ZINC34686146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 2.78 9.8 -22.83 0 8 0 72 487.984 8
Mid Mid (pH 6-8) 2.78 12.04 -62.73 1 8 1 73 488.992 8

Activity (Go SEA)

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