UCSF

ZINC38792212

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 17 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) -1.91 -2.46 -53.84 6 7 1 120 243.287 4
Hi High (pH 8-9.5) -1.91 -2.86 -16.99 5 7 0 119 242.279 4

Activity (Go SEA)

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