UCSF

ZINC13040171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 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) 3.26 7.57 -15.14 2 7 0 93 435.933 9
Lo Low (pH 4.5-6) 3.26 8.31 -88.93 3 7 1 98 436.941 9

Activity (Go SEA)

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