UCSF

ZINC01004590

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 15 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) 2.60 6.82 -11.55 0 3 0 33 202.257 1
Mid Mid (pH 6-8) 2.82 4.61 -7.95 1 3 0 38 202.257 1

Activity (Go SEA)

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