UCSF

ZINC37106538

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) 3.02 10.09 -37.14 2 3 1 34 262.421 4
Mid Mid (pH 6-8) 3.02 11.2 -100.16 3 3 2 36 263.429 4

Activity (Go SEA)

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