UCSF

ZINC13832981

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 27 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) 0.99 10.64 -60.08 0 5 -1 75 369.347 3
Lo Low (pH 4.5-6) 0.99 10.89 -82.34 1 5 0 76 370.355 3

Activity (Go SEA)

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