UCSF

ZINC23081024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 30 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) 3.32 8.46 -21.35 1 8 0 99 429.498 7
Hi High (pH 8-9.5) 3.32 8.53 -56.15 0 8 -1 101 428.49 7

Activity (Go SEA)

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