UCSF

ZINC39244613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 4.14 8.99 -58.71 0 6 -1 78 362.409 4
Mid Mid (pH 6-8) 4.14 11.27 -77.28 1 6 0 79 363.417 4

Activity (Go SEA)

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