UCSF

ZINC37044594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.98 2.86 -52.42 4 4 1 70 230.291 2
Hi High (pH 8-9.5) 0.98 2.53 -11.53 3 4 0 68 229.283 2

Activity (Go SEA)

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