UCSF

ZINC25971588

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 18 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) 1.00 2.32 -41.87 5 5 1 89 253.322 7
Hi High (pH 8-9.5) 1.00 1.03 -9.89 4 5 0 85 252.314 7

Activity (Go SEA)

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