UCSF

ZINC50913435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 18 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) 2.89 7.87 -77.5 2 4 0 57 246.31 4
Hi High (pH 8-9.5) 2.89 5.48 -50.5 1 4 -1 55 245.302 4

Activity (Go SEA)

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