UCSF

ZINC37116929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.65 6.59 -51.21 3 1 1 28 233.162 4
Hi High (pH 8-9.5) 2.65 6.29 -2.48 2 1 0 26 232.154 4

Activity (Go SEA)

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