UCSF

ZINC00700573

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 4.79 9.95 -12.81 1 6 0 64 495.689 13
Mid Mid (pH 6-8) 4.79 12.22 -57.08 2 6 1 65 496.697 13

Activity (Go SEA)

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