UCSF

ZINC34627441

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 2.81 8.11 -40.2 4 3 1 51 311.449 5
Hi High (pH 8-9.5) 2.81 5.88 -4.73 3 3 0 49 310.441 5

Activity (Go SEA)

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