UCSF

ZINC04155498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 2.71 -2.15 -11.21 2 4 0 58 346.374 7
Mid Mid (pH 6-8) 2.71 -1.9 -34.03 3 4 1 59 347.382 7

Activity (Go SEA)

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