UCSF

ZINC34824215

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 1.26 8.01 -96.67 3 5 2 42 281.448 5
Hi High (pH 8-9.5) 1.26 4.57 -3.76 1 5 0 36 279.432 5
Mid Mid (pH 6-8) 1.26 5.78 -36.5 2 5 1 41 280.44 5

Activity (Go SEA)

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