UCSF

ZINC42205877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 2.91 7 -32.56 1 2 1 8 302.211 3
Mid Mid (pH 6-8) 2.91 6.99 -36.45 1 2 1 8 302.211 3
Mid Mid (pH 6-8) 2.91 4.72 -3.13 0 2 0 6 301.203 3

Activity (Go SEA)

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