UCSF

ZINC22745706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 3.50 9.99 -35.88 1 3 1 23 367.238 4
Hi High (pH 8-9.5) 3.50 7.65 -7.1 0 3 0 22 366.23 4

Activity (Go SEA)

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