UCSF

ZINC36937459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 4.74 9.57 -25.29 3 3 1 45 325.263 2
Mid Mid (pH 6-8) 4.74 9.45 -6.95 2 3 0 44 324.255 2

Activity (Go SEA)

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