UCSF

ZINC37142837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 0.64 5.01 -54.04 3 5 1 66 263.365 4
Hi High (pH 8-9.5) 0.64 3.86 -10.83 2 5 0 61 262.357 4

Activity (Go SEA)

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