UCSF

ZINC37049980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.23 2.73 -90.49 5 4 2 62 252.358 5
Hi High (pH 8-9.5) 0.23 0.53 -48.16 4 4 1 60 251.35 5

Activity (Go SEA)

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