UCSF

ZINC04143640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 Yes

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) 2.75 -1.61 -21.16 1 6 0 65 362.433 3
Lo Low (pH 4.5-6) 2.75 -1.5 -47.9 2 6 1 66 363.441 3

Activity (Go SEA)

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