UCSF

ZINC31893869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 1.76 6.16 -41.12 1 3 1 21 262.402 2
Mid Mid (pH 6-8) 1.76 6.03 -43.13 1 3 1 21 262.402 2
Mid Mid (pH 6-8) 1.76 3.69 -6.87 0 3 0 19 261.394 2

Activity (Go SEA)

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