UCSF

ZINC34958704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 2.00 5.87 -105.15 4 2 2 32 212.381 1
Mid Mid (pH 6-8) 2.00 5.54 -29.82 3 2 1 30 211.373 1
Mid Mid (pH 6-8) 2.00 4.62 -41.51 3 2 1 31 211.373 1

Activity (Go SEA)

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