UCSF

ZINC00217249

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 26 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) 1.16 6.69 -21.24 2 6 0 74 344.374 3
Lo Low (pH 4.5-6) 1.16 7.15 -49.28 3 6 1 76 345.382 3

Activity (Go SEA)

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