UCSF

ZINC37788718

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) 3.22 9.62 -57.23 1 4 -1 69 308.423 8
Lo Low (pH 4.5-6) 3.22 7.16 -6.68 2 4 0 66 309.431 8

Activity (Go SEA)

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