UCSF

ZINC58980656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2011 17 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) 1.13 6.56 -9.02 0 3 0 33 226.279 3
Lo Low (pH 4.5-6) 1.13 7.07 -31.23 1 3 1 34 227.287 3

Activity (Go SEA)

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