UCSF

ZINC37694029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 13 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) 0.18 2.83 -41.22 2 3 1 38 181.259 4
Hi High (pH 8-9.5) 0.18 0.4 -5.6 1 3 0 36 180.251 4

Activity (Go SEA)

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