UCSF

ZINC45752325

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 22 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) 2.52 4.96 -10.4 1 5 0 58 321.446 3
Lo Low (pH 4.5-6) 2.52 7.08 -46.28 2 5 1 59 322.454 3

Activity (Go SEA)

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