UCSF

ZINC34476258

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 30 No

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) 3.42 12.47 -58.98 1 6 -1 73 429.506 2
Mid Mid (pH 6-8) 2.69 12.75 -24.67 2 6 0 76 430.514 2
Mid Mid (pH 6-8) 4.14 12.18 -109.94 0 6 -2 70 428.498 2

Activity (Go SEA)

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