UCSF

ZINC37788534

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.99 6.56 -69.7 2 6 0 83 280.324 8
Hi High (pH 8-9.5) 0.99 4.04 -47.08 1 6 -1 82 279.316 8
Lo Low (pH 4.5-6) 0.99 4.59 -41.01 3 6 1 80 281.332 8

Activity (Go SEA)

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