UCSF

ZINC34861271

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 1.48 6.6 -23.8 2 9 0 121 492.557 8
Mid Mid (pH 6-8) 2.78 6.42 -56.04 1 9 -1 125 491.549 8
Lo Low (pH 4.5-6) 1.48 7 -43.53 3 9 1 123 493.565 8

Activity (Go SEA)

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