UCSF

ZINC36747266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.79 -1.04 -42.12 5 5 1 89 202.278 6
Hi High (pH 8-9.5) -0.79 -2.2 -11.98 4 5 0 84 201.27 6

Activity (Go SEA)

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