UCSF

ZINC36996946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.42 7.31 -33.05 3 3 1 37 354.312 4
Hi High (pH 8-9.5) 3.42 5.2 -3.25 2 3 0 35 353.304 4
Lo Low (pH 4.5-6) 3.43 8.11 -112.81 4 3 2 41 355.32 4

Activity (Go SEA)

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