UCSF

ZINC03359459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 29 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) 5.13 13.49 -15.07 0 6 0 65 381.439 4
Mid Mid (pH 6-8) 5.14 13.94 -32.18 2 6 1 70 382.447 4

Activity (Go SEA)

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