UCSF

ZINC25138344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) 0.11 4.84 -23.27 1 7 0 96 315.329 3
Hi High (pH 8-9.5) 0.57 3.67 -55.46 0 7 -1 99 314.321 3

Activity (Go SEA)

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