UCSF

ZINC31912466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.03 4.7 -53.31 3 3 1 45 190.27 1
Hi High (pH 8-9.5) 0.03 4.37 -10.36 2 3 0 43 189.262 1
Mid Mid (pH 6-8) 0.03 5.12 -96.8 4 3 2 46 191.278 1

Activity (Go SEA)

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