UCSF

ZINC53663876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 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) -0.26 2.44 -56.74 2 7 1 76 208.249 4
Hi High (pH 8-9.5) -0.26 0.99 -7.91 1 7 0 71 207.241 4

Activity (Go SEA)

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