UCSF

ZINC08854956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 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) 1.91 7.21 -50.74 1 11 -1 172 426.361 8
Mid Mid (pH 6-8) 2.36 -1.72 -34.01 2 11 0 169 427.369 7
Mid Mid (pH 6-8) 1.33 -1.44 -26.27 1 11 0 166 427.369 8

Activity (Go SEA)

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