UCSF

ZINC13123694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 0.32 5.69 -12.8 2 9 0 111 334.343 3
Hi High (pH 8-9.5) 0.51 5.08 -40 1 9 -1 117 333.335 3
Hi High (pH 8-9.5) 0.69 5.04 -47.41 2 9 0 121 334.343 3
Lo Low (pH 4.5-6) 0.50 5.77 -42.27 3 9 1 115 335.351 3
Lo Low (pH 4.5-6) 0.50 6.01 -109.55 4 9 2 116 336.359 3

Activity (Go SEA)

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