UCSF

ZINC22024617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 4.84 10.81 -22.44 1 6 0 88 361.81 4
Hi High (pH 8-9.5) 4.91 9.73 -51.27 0 6 -1 94 360.802 4

Activity (Go SEA)

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