UCSF

ZINC36673272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.90 5.48 -43.21 2 2 1 26 226.727 1
Hi High (pH 8-9.5) 2.90 4.18 -2.56 1 2 0 21 225.719 1

Activity (Go SEA)

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