UCSF

ZINC31961491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -1.33 -3.58 -57.1 6 7 1 111 255.298 8
Mid Mid (pH 6-8) -1.33 -3.97 -17.38 5 7 0 110 254.29 8
Mid Mid (pH 6-8) -1.33 -3.12 -99.97 7 7 2 112 256.306 8

Activity (Go SEA)

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