UCSF

ZINC35390194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 1.13 4.5 -56.95 2 6 -1 99 280.3 5
Hi High (pH 8-9.5) 1.13 5.51 -126.94 1 6 -2 102 279.292 5

Activity (Go SEA)

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