UCSF

ZINC35011603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) -0.34 4.56 -59.56 2 5 1 57 268.381 2
Hi High (pH 8-9.5) -0.34 3.63 -14.56 1 5 0 53 267.373 2

Activity (Go SEA)

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