UCSF

ZINC22184623

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 28 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) 2.99 6.09 -11.35 3 7 0 103 437.308 5
Hi High (pH 8-9.5) 2.99 5.94 -49.95 2 7 -1 106 436.3 5

Activity (Go SEA)

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