UCSF

ZINC22191391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 5.03 10.44 -14.18 1 3 0 42 391.265 4
Hi High (pH 8-9.5) 5.10 9.53 -43.24 0 3 -1 48 390.257 4

Activity (Go SEA)

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