UCSF

ZINC32181623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 3.57 9.13 -36.21 2 3 1 26 299.438 7
Mid Mid (pH 6-8) 3.56 7.06 -4.26 1 3 0 24 298.43 7
Mid Mid (pH 6-8) 3.56 8.17 -34.35 2 3 1 29 299.438 7
Lo Low (pH 4.5-6) 3.57 10.48 -117.54 3 3 2 30 300.446 7

Activity (Go SEA)

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