UCSF

ZINC40954961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 32 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) 4.86 9.86 -13.18 2 6 0 79 461.465 7
Lo Low (pH 4.5-6) 4.86 10.35 -42.96 3 6 1 81 462.473 7

Activity (Go SEA)

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