UCSF

ZINC31034666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 24 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) 3.06 6.23 -11.86 1 5 0 59 347.798 3
Hi High (pH 8-9.5) 3.06 7.13 -51.48 0 5 -1 62 346.79 3

Activity (Go SEA)

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