UCSF

ZINC37796912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -0.60 3.23 -88.24 4 5 0 97 226.276 5
Lo Low (pH 4.5-6) -0.60 1.26 -53.16 5 5 1 94 227.284 5

Activity (Go SEA)

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