UCSF

ZINC37825020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.27 6.78 -101.64 3 4 2 41 255.406 5
Hi High (pH 8-9.5) 1.27 5.4 -47.81 2 4 1 37 254.398 5

Activity (Go SEA)

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