UCSF

ZINC36637019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) -0.44 -0.16 -21.09 2 10 0 114 369.451 8
Mid Mid (pH 6-8) -0.44 2.09 -58.15 3 10 1 115 370.459 8

Activity (Go SEA)

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