UCSF

ZINC34627176

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 No

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) 4.31 8.24 -4.52 2 2 0 29 311.61 3
Lo Low (pH 4.5-6) 4.31 7.89 -54.38 3 2 1 31 312.618 3

Activity (Go SEA)

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