UCSF

ZINC44683866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.40 6.17 -35.29 2 3 1 29 261.389 6
Hi High (pH 8-9.5) 2.40 4.93 -2.98 1 3 0 24 260.381 6
Lo Low (pH 4.5-6) 2.40 7.27 -31.03 2 3 1 26 261.389 6

Activity (Go SEA)

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