UCSF

ZINC00586422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 32 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) 4.64 1.82 -47.6 0 7 -1 83 420.5 5
Lo Low (pH 4.5-6) 4.64 1.92 -57.07 1 7 0 84 421.508 5

Activity (Go SEA)

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