UCSF

ZINC37503053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 0.89 -0.24 -14.86 4 5 0 92 222.244 5
Hi High (pH 8-9.5) 0.89 0.76 -58.62 3 5 -1 95 221.236 5

Activity (Go SEA)

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