UCSF

ZINC37811664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.95 2.37 -46.99 3 6 1 77 274.385 8
Hi High (pH 8-9.5) -0.95 2.09 -10.6 2 6 0 76 273.377 8

Activity (Go SEA)

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