UCSF

ZINC34553356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 1.37 1.4 -7.76 3 4 0 58 219.288 2
Mid Mid (pH 6-8) 1.37 2.67 -39.9 4 4 1 63 220.296 2
Mid Mid (pH 6-8) 1.37 1.47 -36.78 4 4 1 60 220.296 2

Activity (Go SEA)

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