UCSF

ZINC35819120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) -0.36 2.05 -12.56 1 9 0 97 393.488 11
Mid Mid (pH 6-8) -0.36 4.32 -42.99 2 9 1 98 394.496 11

Activity (Go SEA)

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