UCSF

ZINC04388791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 20 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) 3.63 5.12 -7.28 1 3 0 41 302.424 1
Lo Low (pH 4.5-6) 3.63 6.1 -27.65 2 3 1 43 303.432 1

Activity (Go SEA)

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