UCSF

ZINC37246943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.79 3.98 -36.59 2 2 1 20 185.335 4
Hi High (pH 8-9.5) 1.79 2.85 -0.93 1 2 0 15 184.327 4
Mid Mid (pH 6-8) 1.79 4.87 -30.59 2 2 1 16 185.335 4
Mid Mid (pH 6-8) 1.79 6.21 -104.34 3 2 2 21 186.343 4

Activity (Go SEA)

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