UCSF

ZINC37084143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.02 5.01 -136.7 4 4 2 51 264.369 4
Hi High (pH 8-9.5) 2.02 4.53 -34.32 3 4 1 49 263.361 4
Mid Mid (pH 6-8) 2.02 2.68 -50.49 3 4 1 49 263.361 4

Activity (Go SEA)

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