UCSF

ZINC33804062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.84 3.27 -52.4 3 7 -1 119 313.289 5
Hi High (pH 8-9.5) 0.84 4.12 -106.75 2 7 -2 121 312.281 5

Activity (Go SEA)

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