UCSF

ZINC35292372

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 2.99 9.42 -44.97 1 6 1 56 356.475 4
Mid Mid (pH 6-8) 2.99 7.19 -7.06 0 6 0 54 355.467 4

Activity (Go SEA)

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