UCSF

ZINC21638440

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 2.54 8.32 -43.65 2 6 1 63 332.472 4
Mid Mid (pH 6-8) 2.54 5.95 -9.25 1 6 0 61 331.464 4

Activity (Go SEA)

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