UCSF

ZINC00968322

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 5.60 12.53 -11.28 1 3 0 41 429.604 2
Lo Low (pH 4.5-6) 5.60 13.3 -70.56 2 3 0 42 430.612 2

Activity (Go SEA)

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