UCSF

ZINC36668002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 24 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) 1.01 1.6 -14.17 4 8 0 110 335.408 6
Mid Mid (pH 6-8) 1.01 1.51 -38.13 5 8 1 111 336.416 6

Activity (Go SEA)

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