UCSF

ZINC12415061

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 35 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) 4.23 -0.34 -23.93 1 8 0 95 486.553 6
Lo Low (pH 4.5-6) 4.23 -0.3 -43.07 2 8 1 97 487.561 6

Activity (Go SEA)

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