UCSF

ZINC45650749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.38 7.22 -37.4 2 2 1 20 259.417 3
Hi High (pH 8-9.5) 2.38 8.59 -32.68 2 2 1 16 259.417 3
Hi High (pH 8-9.5) 2.38 6.17 -1.95 1 2 0 15 258.409 3

Activity (Go SEA)

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