UCSF

ZINC12531132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 2.00 7.33 -15.89 4 9 0 134 421.505 2
Lo Low (pH 4.5-6) 2.00 7.76 -53.58 5 9 1 136 422.513 2

Activity (Go SEA)

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