UCSF

ZINC03893034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 23 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) 3.48 13.11 -34.62 1 3 1 26 311.449 4
Hi High (pH 8-9.5) 3.48 10.95 -7.16 0 3 0 25 310.441 4

Activity (Go SEA)

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