UCSF

ZINC30499236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 2.62 6.7 -41.79 2 4 1 51 305.423 6
Hi High (pH 8-9.5) 2.62 4.35 -9.64 1 4 0 49 304.415 6

Activity (Go SEA)

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