UCSF

ZINC33138013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 3.87 10.24 -20.28 1 6 0 70 429.586 4
Hi High (pH 8-9.5) 4.58 10.25 -58.35 1 6 -1 77 428.578 4

Activity (Go SEA)

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