UCSF

ZINC48237488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 25 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 6.32 -123.99 0 6 -2 101 358.35 4
Mid Mid (pH 6-8) 2.75 6.84 -91.42 1 6 -1 103 359.358 4
Mid Mid (pH 6-8) 2.75 6.3 -56.84 1 6 -1 99 359.358 4

Activity (Go SEA)

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