UCSF

ZINC25147515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 2.75 7.18 -19.99 2 7 0 103 427.526 5
Hi High (pH 8-9.5) 3.65 6.12 -49.1 1 7 -1 106 426.518 5

Activity (Go SEA)

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