UCSF

ZINC00358116

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 No

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) 3.63 4.12 -11.27 1 5 0 70 344.436 4
Hi High (pH 8-9.5) 3.63 6.17 -50.89 0 5 -1 73 343.428 4
Hi High (pH 8-9.5) 3.63 4.86 -42.07 0 5 -1 73 343.428 4
Lo Low (pH 4.5-6) 3.63 5.9 -10.44 2 5 0 72 345.444 4
Lo Low (pH 4.5-6) 3.63 4.55 -42.53 2 5 1 72 345.444 4

Activity (Go SEA)

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