UCSF

ZINC02788740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 15 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) 3.18 7.79 -48.41 0 4 -1 43 367.071 2
Lo Low (pH 4.5-6) 2.45 7.7 -19.06 1 4 0 46 368.079 2

Activity (Go SEA)

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