UCSF

ZINC31276304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 27 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) 0.94 5.05 -17.72 1 7 0 81 369.421 7
Lo Low (pH 4.5-6) 0.94 5.45 -38.59 2 7 1 82 370.429 7

Activity (Go SEA)

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