UCSF

ZINC49766471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 38 No

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) 5.24 11.91 -194.59 6 7 3 86 554.546 12
Hi High (pH 8-9.5) 5.24 11.06 -80.42 4 7 1 83 552.53 12
Hi High (pH 8-9.5) 5.24 8.99 -20 3 7 0 82 551.522 12
Hi High (pH 8-9.5) 5.24 9.42 -45.64 4 7 1 83 552.53 12
Mid Mid (pH 6-8) 5.24 9.83 -84.89 5 7 2 85 553.538 12
Mid Mid (pH 6-8) 5.24 11.49 -132.94 5 7 2 85 553.538 12

Activity (Go SEA)

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