UCSF

ZINC37236922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.98 8.33 -80.71 3 3 2 21 265.445 5
Mid Mid (pH 6-8) 1.98 7.06 -106.99 3 3 2 24 265.445 5
Mid Mid (pH 6-8) 1.98 4.84 -38.58 2 3 1 23 264.437 5
Mid Mid (pH 6-8) 1.98 6.05 -34.72 2 3 1 20 264.437 5

Activity (Go SEA)

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