UCSF

ZINC13122789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 31 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) 1.54 9.26 -72.3 1 8 0 96 420.469 7
Lo Low (pH 4.5-6) 1.54 8.5 -51.08 2 8 1 93 421.477 7

Activity (Go SEA)

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