UCSF

ZINC37825523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.15 7.18 -55.83 2 5 1 84 275.376 5
Hi High (pH 8-9.5) 1.15 6.02 -17.55 1 5 0 80 274.368 5

Activity (Go SEA)

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