UCSF

ZINC28571691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 45 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) 8.27 19.68 -56.17 0 12 -1 152 629.097 14
Lo Low (pH 4.5-6) 8.27 19.79 -19.6 1 12 0 154 630.105 14

Activity (Go SEA)

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