UCSF

ZINC37814708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.83 3.29 -39.35 3 4 1 57 243.371 7
Hi High (pH 8-9.5) 0.83 3.01 -8.27 2 4 0 56 242.363 7

Activity (Go SEA)

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