UCSF

ZINC37033433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) -0.70 0.12 -45.7 4 5 1 83 189.235 4
Hi High (pH 8-9.5) -0.70 -0.22 -7.11 3 5 0 81 188.227 4

Activity (Go SEA)

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