UCSF

ZINC59545339

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 24 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) 7.23 13.16 -46.51 1 3 -1 60 333.492 15
Lo Low (pH 4.5-6) 7.23 11.18 -8.23 2 3 0 58 334.5 15

Activity (Go SEA)

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