UCSF

ZINC35609602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 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) -1.78 -2.91 -51.48 1 7 -1 101 251.284 5
Lo Low (pH 4.5-6) -1.78 -0.58 -70.81 2 7 0 102 252.292 5

Activity (Go SEA)

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