UCSF

ZINC70007059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 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) 1.40 3.88 -11.85 2 5 0 60 315.417 4
Lo Low (pH 4.5-6) 1.40 6.1 -46.66 3 5 1 61 316.425 4

Activity (Go SEA)

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