UCSF

ZINC43425429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 4.38 7.24 -6.18 0 3 0 36 290.451 3
Mid Mid (pH 6-8) 4.38 9.32 -41.15 1 3 1 37 291.459 3

Activity (Go SEA)

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