UCSF

ZINC36132581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 2.14 7.14 -58.66 0 5 -1 70 282.36 3
Lo Low (pH 4.5-6) 2.14 5.71 -10.73 1 5 0 67 283.368 3

Activity (Go SEA)

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