UCSF

ZINC42207318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.75 6.1 -7.53 1 2 0 36 206.264 4
Mid Mid (pH 6-8) 2.75 7.05 -56.35 2 2 1 40 207.272 4

Activity (Go SEA)

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