UCSF

ZINC31207697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.18 9.15 -45.45 1 6 1 54 439.374 4
Hi High (pH 8-9.5) 2.18 6.93 -11.35 0 6 0 53 438.366 4

Activity (Go SEA)

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