UCSF

ZINC35289661

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 27 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) 2.21 5.53 -15.69 0 7 0 89 405.501 4
Lo Low (pH 4.5-6) 2.21 5.97 -41.35 1 7 1 91 406.509 4

Activity (Go SEA)

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