UCSF

ZINC40162592

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) 3.01 3.35 -9.24 3 4 0 72 316.304 4
Hi High (pH 8-9.5) 3.01 3.47 -42.99 2 4 -1 74 315.296 4

Activity (Go SEA)

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