UCSF

ZINC36996461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.41 8.65 -32.72 2 2 1 16 299.36 4
Mid Mid (pH 6-8) 3.41 7.66 -44.28 2 2 1 20 299.36 4
Lo Low (pH 4.5-6) 3.41 9.91 -117.8 3 2 2 21 300.368 4

Activity (Go SEA)

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