UCSF

ZINC04054551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 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) 2.86 7.61 -46.08 2 3 1 39 257.357 7
Lo Low (pH 4.5-6) 2.86 7.89 -104.4 3 3 2 40 258.365 7

Activity (Go SEA)

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