UCSF

ZINC09433801

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 29 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) 4.39 10.61 -55.43 0 5 -1 74 427.263 5
Mid Mid (pH 6-8) 4.84 9.24 -27.25 1 5 0 71 428.271 4
Mid Mid (pH 6-8) 3.81 10.22 -21.96 0 5 0 68 428.271 5

Activity (Go SEA)

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