UCSF

ZINC36818276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 2.36 4.2 -48.57 0 6 -1 87 305.335 5
Lo Low (pH 4.5-6) 2.36 4.66 -47.94 1 6 0 89 306.343 5
Lo Low (pH 4.5-6) 2.36 4.12 -12.51 1 6 0 85 306.343 5

Activity (Go SEA)

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