UCSF

ZINC36996816

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) 2.71 8.12 -38.4 2 4 1 43 289.399 5
Mid Mid (pH 6-8) 2.71 7.01 -51.07 2 4 1 46 289.399 5
Lo Low (pH 4.5-6) 2.71 9.27 -124.2 3 4 2 47 290.407 5

Activity (Go SEA)

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