UCSF

ZINC34328917

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) -1.30 1.86 -36.13 3 6 0 95 241.243 5
Hi High (pH 8-9.5) -1.30 1.49 -55.03 2 6 -1 94 240.235 5

Activity (Go SEA)

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