UCSF

ZINC37299524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.89 5.79 -106.59 5 4 2 61 265.401 8
Mid Mid (pH 6-8) 1.89 5.41 -39.95 4 4 1 60 264.393 8

Activity (Go SEA)

Rings

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