UCSF

ZINC37825416

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.08 -2.9 -44.22 5 5 1 88 219.305 7
Mid Mid (pH 6-8) -1.08 -3.26 -7.9 4 5 0 87 218.297 7

Activity (Go SEA)

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