UCSF

ZINC37818265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) -1.08 -0.71 -47.3 4 7 1 95 267.309 1
Hi High (pH 8-9.5) -0.90 -3.36 -66.76 3 7 0 101 266.301 1

Activity (Go SEA)

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