UCSF

ZINC32117934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.22 8.23 -21.46 1 7 0 79 424.526 6
Mid Mid (pH 6-8) 3.04 7.29 -54.2 0 7 -1 85 423.518 6
Mid Mid (pH 6-8) 3.04 9.06 -49.51 1 7 0 86 424.526 6
Mid Mid (pH 6-8) 3.78 9.41 -45.42 2 7 1 83 425.534 5

Activity (Go SEA)

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