UCSF

ZINC44262048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.22 2.15 -9.56 1 6 0 85 290.316 6
Hi High (pH 8-9.5) 1.22 1.74 -37.61 0 6 -1 87 289.308 6

Activity (Go SEA)

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