UCSF

ZINC31946983

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) 2.21 7.24 -15.66 1 5 0 50 332.473 6
Mid Mid (pH 6-8) 2.21 8.62 -58.89 2 5 1 55 333.481 6
Lo Low (pH 4.5-6) 2.21 9.06 -85.19 3 5 2 56 334.489 6

Activity (Go SEA)

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