UCSF

ZINC03653149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 20 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) 2.34 5.5 -11.35 1 4 0 51 287.237 4
Hi High (pH 8-9.5) 2.34 6.15 -46.18 0 4 -1 54 286.229 4

Activity (Go SEA)

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