UCSF

ZINC08740988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 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) 2.52 7.78 -54.54 0 10 -1 128 480.497 9
Mid Mid (pH 6-8) 2.96 10.33 -55.42 2 10 1 126 482.513 8
Mid Mid (pH 6-8) 2.52 10.1 -75.59 1 10 0 129 481.505 9

Activity (Go SEA)

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