UCSF

ZINC35458855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 3.76 8.04 -59.11 1 4 -1 73 331.432 4
Mid Mid (pH 6-8) 3.76 6.07 -10.1 2 4 0 71 332.44 4

Activity (Go SEA)

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