UCSF

ZINC36978559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 0.25 6.35 -41.31 2 4 0 66 208.261 4
Mid Mid (pH 6-8) 0.25 6.04 -48.1 1 4 -1 65 207.253 4

Activity (Go SEA)

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