UCSF

ZINC14354597

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2008 29 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) 4.15 13.03 -11.91 0 7 0 71 402.47 8
Mid Mid (pH 6-8) 4.15 13.52 -48.24 1 7 1 72 403.478 8

Activity (Go SEA)

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