UCSF

ZINC37113018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.91 8.04 -36.76 3 2 1 30 289.365 7
Lo Low (pH 4.5-6) 1.91 8.36 -131.38 4 2 2 32 290.373 7

Activity (Go SEA)

Rings

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