UCSF

ZINC34979918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.90 9.91 -17.53 0 3 0 35 272.254 3
Lo Low (pH 4.5-6) 2.90 10.38 -41.01 1 3 1 36 273.262 3

Activity (Go SEA)

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