UCSF

ZINC31719062

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 24 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) 2.95 4.16 -17.04 2 6 0 74 365.22 3
Lo Low (pH 4.5-6) 2.95 4.42 -53.67 3 6 1 76 366.228 3

Activity (Go SEA)

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