UCSF

ZINC39898049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.38 1.3 -15.39 4 8 0 119 429.86 6
Mid Mid (pH 6-8) 2.38 2.06 -51.63 3 8 -1 122 428.852 6

Activity (Go SEA)

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