UCSF

ZINC37103065

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) 2.51 5.1 -39.94 3 5 1 72 282.36 8
Mid Mid (pH 6-8) 2.51 3.98 -11.23 2 5 0 68 281.352 8

Activity (Go SEA)

Rings

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