UCSF

ZINC37054035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.41 2.39 -50.85 2 6 -1 111 307.742 3
Lo Low (pH 4.5-6) 1.59 2.88 -17.01 3 6 0 112 308.75 2

Activity (Go SEA)

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