UCSF

ZINC37820384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) -0.99 0.32 -51.61 4 7 1 103 267.309 4
Hi High (pH 8-9.5) -0.99 -0.08 -15.37 3 7 0 101 266.301 4

Activity (Go SEA)

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