UCSF

ZINC02971703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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 10.48 -45.73 1 5 -1 64 392.504 5
Mid Mid (pH 6-8) 3.41 10.76 -14.08 2 5 0 67 393.512 5

Activity (Go SEA)

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