UCSF

ZINC37113865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.06 5.21 -4.19 2 4 0 57 252.358 7
Lo Low (pH 4.5-6) 4.06 5.46 -23.5 3 4 1 59 253.366 7

Activity (Go SEA)

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