UCSF

ZINC37822374

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.51 3.69 -53.3 2 5 1 57 268.362 3
Hi High (pH 8-9.5) -0.51 2.25 -14.97 1 5 0 53 267.354 3

Activity (Go SEA)

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