UCSF

ZINC19950430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 32 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) 4.01 8.49 -54.07 0 6 -1 73 518.815 7
Mid Mid (pH 6-8) 4.01 10.82 -67.15 1 6 0 74 519.823 7

Activity (Go SEA)

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