UCSF

ZINC34603704

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 1.44 10.64 -113.85 3 6 0 93 385.439 3
Mid Mid (pH 6-8) -1.30 7.81 -89.07 4 6 1 96 386.447 2

Activity (Go SEA)

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