UCSF

ZINC20473471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 3.34 6.24 -56.99 3 3 1 46 341.2 5
Hi High (pH 8-9.5) 3.34 4.83 -8.95 2 3 0 41 340.192 5
Mid Mid (pH 6-8) 3.34 7.01 -70.52 2 3 0 49 340.192 5

Activity (Go SEA)

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