UCSF

ZINC51818520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 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) -0.18 1.01 -54.64 4 4 1 68 223.296 4
Hi High (pH 8-9.5) -0.18 0.6 -8.52 3 4 0 67 222.288 4

Activity (Go SEA)

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