UCSF

ZINC37509089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 3.18 8.53 -77.72 3 4 2 30 291.439 6
Hi High (pH 8-9.5) 3.18 6.01 -37.75 2 4 1 29 290.431 6

Activity (Go SEA)

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