UCSF

ZINC20901137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 4.53 11.53 -66.34 2 5 1 63 438.617 8
Hi High (pH 8-9.5) 4.53 10.56 -52.87 1 5 0 65 437.609 8

Activity (Go SEA)

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