UCSF

ZINC44196505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 24 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) 1.76 3.06 -14.91 1 6 0 70 353.488 5
Mid Mid (pH 6-8) 1.76 5.72 -50.52 2 6 1 71 354.496 5

Activity (Go SEA)

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