UCSF

ZINC08606622

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 36 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) 3.73 8.89 -16.4 2 8 0 101 484.556 8
Hi High (pH 8-9.5) 3.73 9.64 -45.35 1 8 -1 103 483.548 8

Activity (Go SEA)

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