UCSF

ZINC37809256

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) -1.88 -5.22 -38.49 6 6 1 111 190.223 5
Hi High (pH 8-9.5) -1.88 -5.57 -14.53 5 6 0 110 189.215 5

Activity (Go SEA)

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