UCSF

ZINC20389895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) 2.97 7.3 -36.54 1 4 1 26 293.431 8
Hi High (pH 8-9.5) 2.97 4.99 -5.8 0 4 0 25 292.423 8
Mid Mid (pH 6-8) 2.97 7.3 -39.91 1 4 1 26 293.431 8

Activity (Go SEA)

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