UCSF

ZINC37052339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -1.80 1.21 -12.62 3 6 0 99 262.244 3
Mid Mid (pH 6-8) -1.80 1.51 -54.82 4 6 1 101 263.252 3

Activity (Go SEA)

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