UCSF

ZINC37082496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.86 9.23 -44.52 1 4 0 58 261.321 5
Hi High (pH 8-9.5) 2.86 6.97 -51.96 0 4 -1 57 260.313 5

Activity (Go SEA)

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