UCSF

ZINC12308863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 27 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) 3.19 7.23 -18.07 1 6 0 72 367.449 6
Lo Low (pH 4.5-6) 3.19 7.93 -41.78 2 6 1 73 368.457 6

Activity (Go SEA)

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