UCSF

ZINC36787484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.62 3.94 -36.75 2 2 1 20 185.335 3
Hi High (pH 8-9.5) 1.62 2.7 -0.74 1 2 0 15 184.327 3
Mid Mid (pH 6-8) 1.62 4.24 -28.91 2 2 1 16 185.335 3
Mid Mid (pH 6-8) 1.62 5.69 -101.64 3 2 2 21 186.343 3

Activity (Go SEA)

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