UCSF

ZINC37851186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.54 0.08 -49.33 4 4 1 66 244.286 8
Hi High (pH 8-9.5) 0.54 -1.27 -11.2 3 4 0 62 243.278 8

Activity (Go SEA)

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