UCSF

ZINC01450605

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 32 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) 5.57 11.82 -54.47 0 6 -1 86 508.373 5
Mid Mid (pH 6-8) 4.98 -0.91 -17.09 0 6 0 80 509.381 5

Activity (Go SEA)

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