UCSF

ZINC37819106

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) -1.24 -1.75 -46.18 5 8 1 120 279.324 4
Hi High (pH 8-9.5) -1.24 -2.1 -15.09 4 8 0 118 278.316 4

Activity (Go SEA)

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