UCSF

ZINC20104042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 38 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) 3.17 10.39 -14.23 0 9 0 78 509.614 5
Lo Low (pH 4.5-6) 3.17 10.81 -43.94 1 9 1 79 510.622 5

Activity (Go SEA)

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