UCSF

ZINC04877456

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 19 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) -2.56 -4.34 -22.24 4 9 0 133 268.229 1
Hi High (pH 8-9.5) -2.10 -6.39 -59 3 9 -1 137 267.221 1

Activity (Go SEA)

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