UCSF

ZINC32114680

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.53 5.22 -116.48 4 4 2 51 268.401 9
Mid Mid (pH 6-8) 1.53 4.01 -39.66 3 4 1 46 267.393 9

Activity (Go SEA)

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