UCSF

ZINC08691821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 15 Yes

Other Names:

MFCD01830147

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) 2.75 5.57 -9.76 1 3 0 46 265.11 1
Mid Mid (pH 6-8) 3.21 4.69 -41.93 0 3 -1 49 264.102 1

Activity (Go SEA)

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