UCSF

ZINC37855037

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 4.28 9.47 -42.57 2 2 1 29 315.487 6
Mid Mid (pH 6-8) 4.28 8.3 -7.83 1 2 0 25 314.479 6

Activity (Go SEA)

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