UCSF

ZINC70613474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 2.56 5.09 -5.55 0 2 0 27 180.295 2
Lo Low (pH 4.5-6) 2.56 7.27 -40.1 1 2 1 28 181.303 2

Activity (Go SEA)

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