UCSF

ZINC37791733

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.70 4.53 -59.84 2 5 -1 89 268.333 4
Mid Mid (pH 6-8) 0.70 1.99 -14.66 3 5 0 87 269.341 4

Activity (Go SEA)

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