UCSF

ZINC37046811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.61 3.02 -86.69 4 5 0 97 222.244 3
Hi High (pH 8-9.5) 0.61 2.64 -55.96 3 5 -1 95 221.236 3

Activity (Go SEA)

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