UCSF

ZINC37801426

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.42 1.44 -38.15 5 6 1 100 312.415 7
Hi High (pH 8-9.5) 0.42 0.72 -11.74 4 6 0 99 311.407 7

Activity (Go SEA)

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