UCSF

ZINC31993454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.93 6.48 -39.33 2 3 1 28 283.395 3
Mid Mid (pH 6-8) 2.93 4.01 -7.58 1 3 0 27 282.387 3
Mid Mid (pH 6-8) 2.93 6.35 -40.42 2 3 1 28 283.395 3

Activity (Go SEA)

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