UCSF

ZINC37128957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.64 10.64 -55.49 2 4 1 62 350.236 5
Hi High (pH 8-9.5) 4.64 9.56 -8.68 1 4 0 58 349.228 5

Activity (Go SEA)

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