UCSF

ZINC33121319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 31 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) 3.40 6.48 -49.7 4 7 1 95 466.027 7
Hi High (pH 8-9.5) 3.40 6.55 -61.34 3 7 0 97 465.019 7
Hi High (pH 8-9.5) 3.40 5.13 -41.07 2 7 -1 93 464.011 7

Activity (Go SEA)

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