UCSF

ZINC31933018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.06 9.27 -42.4 1 5 1 40 312.393 5
Mid Mid (pH 6-8) 3.06 7.7 -13.54 0 5 0 39 311.385 5
Lo Low (pH 4.5-6) 3.06 9.74 -84.93 2 5 2 41 313.401 5

Activity (Go SEA)

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