UCSF

ZINC22148963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.18 7.24 -120.95 4 2 2 32 254.462 2
Hi High (pH 8-9.5) 3.18 4.94 -42.68 3 2 1 31 253.454 2

Activity (Go SEA)

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