UCSF

ZINC37824967

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.03 6.12 -108.76 3 5 2 54 278.4 6
Hi High (pH 8-9.5) 0.03 4.86 -56.52 2 5 1 50 277.392 6
Lo Low (pH 4.5-6) 0.03 6.7 -170.74 4 5 3 55 279.408 6

Activity (Go SEA)

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