UCSF

ZINC36852979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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) -0.98 0.58 -51.19 4 6 1 97 240.283 4
Mid Mid (pH 6-8) -0.98 -0.71 -13.91 3 6 0 93 239.275 4

Activity (Go SEA)

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