UCSF

ZINC55120666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) -0.05 7.69 -44.52 1 7 -1 93 360.434 7
Lo Low (pH 4.5-6) -0.05 5.8 -14.6 2 7 0 90 361.442 7

Activity (Go SEA)

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