UCSF

ZINC20230103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

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 11.8 -74.06 1 9 0 120 467.522 11
Lo Low (pH 4.5-6) 3.42 10.98 -58.31 2 9 1 117 468.53 11

Activity (Go SEA)

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