UCSF

ZINC25044231

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 20 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) 1.20 3.33 -16.37 1 6 0 68 275.308 4
Hi High (pH 8-9.5) 1.20 4.24 -59.09 0 6 -1 70 274.3 4

Activity (Go SEA)

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