UCSF

ZINC42832647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 31 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) 3.90 10.86 -46.37 3 5 1 58 420.577 6
Lo Low (pH 4.5-6) 3.90 11.01 -126.72 4 5 2 63 421.585 6

Activity (Go SEA)

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