UCSF

ZINC60250611

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 15 No

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) -2.00 3.73 -71.85 2 6 0 86 216.237 3
Hi High (pH 8-9.5) -2.00 2.43 -58.76 1 6 -1 82 215.229 3

Activity (Go SEA)

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