UCSF

ZINC03194359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 1.12 -1.31 -20.14 5 8 0 142 387.417 6
Mid Mid (pH 6-8) 1.12 -0.52 -54.48 4 8 -1 145 386.409 6

Activity (Go SEA)

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