UCSF

ZINC37081404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.36 3.34 -11.42 1 4 0 50 221.256 3
Hi High (pH 8-9.5) 1.36 4.34 -58.77 0 4 -1 53 220.248 3

Activity (Go SEA)

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