UCSF

ZINC36667410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) -1.86 -2.03 -51.27 4 5 1 90 184.219 3
Hi High (pH 8-9.5) -1.68 -4.48 -37.94 3 5 0 96 183.211 3

Activity (Go SEA)

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