UCSF

ZINC02793786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 4.36 9.61 -55.45 0 6 -1 58 392.407 7
Mid Mid (pH 6-8) 3.64 9.76 -16.94 1 6 0 61 393.415 7

Activity (Go SEA)

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