UCSF

ZINC03506602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 4.19 -3.77 -16.07 2 7 0 101 430.526 11
Hi High (pH 8-9.5) 4.19 -3.2 -49.38 1 7 -1 103 429.518 11

Activity (Go SEA)

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