UCSF

ZINC37777299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 4.96 8.42 -36.13 3 2 1 37 284.423 5
Mid Mid (pH 6-8) 4.96 7.81 -4.03 2 2 0 32 283.415 5

Activity (Go SEA)

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