UCSF

ZINC45648714

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) -0.64 6.23 -66.8 4 7 0 111 292.339 6
Mid Mid (pH 6-8) -0.64 5.65 -53.89 3 7 -1 110 291.331 6

Activity (Go SEA)

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