UCSF

ZINC31934644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 0.74 1.94 -52.48 4 5 1 83 268.362 4
Hi High (pH 8-9.5) 1.20 0.92 -45.19 3 5 0 86 267.354 4
Hi High (pH 8-9.5) 0.74 0.46 -14.88 3 5 0 78 267.354 4

Activity (Go SEA)

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