UCSF

ZINC53125807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.24 3.61 -34.75 4 4 1 66 302.479 11
Hi High (pH 8-9.5) 3.24 2.74 -4.67 3 4 0 62 301.471 11

Activity (Go SEA)

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