UCSF

ZINC11024031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2007 34 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) 1.91 0.99 -18.06 0 8 0 89 460.465 4
Lo Low (pH 4.5-6) 1.91 1.19 -59.44 1 8 1 90 461.473 4

Activity (Go SEA)

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