UCSF

ZINC34677154

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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 0.19 -49.07 3 8 1 92 393.439 8
Mid Mid (pH 6-8) 0.79 -2.06 -11.44 2 8 0 91 392.431 8

Activity (Go SEA)

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