UCSF

ZINC34741684

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.62 7.01 -109.95 4 4 2 50 258.369 3
Hi High (pH 8-9.5) 1.62 6.83 -7.8 2 4 0 47 256.353 3

Activity (Go SEA)

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