UCSF

ZINC20606935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) 3.11 10.96 -39.35 1 7 1 68 427.532 3
Hi High (pH 8-9.5) 3.11 10.69 -17.6 0 7 0 67 426.524 3

Activity (Go SEA)

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