UCSF

ZINC70310282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 21 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) 1.43 6.01 -49.33 1 5 -1 82 305.379 6
Lo Low (pH 4.5-6) 1.43 4.04 -15.4 2 5 0 79 306.387 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.