UCSF

ZINC37807878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.15 8.04 -41.48 3 3 1 48 283.395 5
Mid Mid (pH 6-8) 2.15 7.74 -7.97 2 3 0 46 282.387 5

Activity (Go SEA)

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