UCSF

ZINC37789198

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.81 5.93 -64.54 2 5 0 74 256.346 5
Lo Low (pH 4.5-6) 0.81 3.95 -38.17 3 5 1 71 257.354 5

Activity (Go SEA)

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