UCSF

ZINC32021949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) -0.21 2.49 -50.3 3 5 1 66 242.343 4
Mid Mid (pH 6-8) -0.21 1.11 -9.31 2 5 0 61 241.335 4

Activity (Go SEA)

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