UCSF

ZINC03379390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 3.30 11.97 -40.25 2 6 1 64 430.985 8
Mid Mid (pH 6-8) 3.30 9.52 -11.23 1 6 0 63 429.977 8

Activity (Go SEA)

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