UCSF

ZINC35412991

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) 1.53 4.31 -41.51 4 5 1 75 281.376 7
Hi High (pH 8-9.5) 1.53 3.88 -12.5 3 5 0 74 280.368 7

Activity (Go SEA)

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