UCSF

ZINC34987683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 4.24 9.93 -70.78 4 6 1 84 385.532 12
Hi High (pH 8-9.5) 4.24 11.16 -104.73 3 6 0 87 384.524 12
Lo Low (pH 4.5-6) 4.24 10.23 -119.7 5 6 2 85 386.54 12

Activity (Go SEA)

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