UCSF

ZINC31894700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 Yes

Other Names:

MFCD13190227

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) 2.07 2.69 -50.07 3 2 1 41 244.137 1
Hi High (pH 8-9.5) 2.07 2.29 -5.04 2 2 0 39 243.129 1

Activity (Go SEA)

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