UCSF

ZINC00742231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 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) 2.14 7.78 -22.22 1 7 0 75 430.574 8
Mid Mid (pH 6-8) 2.14 10.11 -53.77 2 7 1 76 431.582 8

Activity (Go SEA)

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