UCSF

ZINC02900536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 22 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) 2.81 3.24 -10.59 3 6 0 91 317.732 4
Hi High (pH 8-9.5) 2.81 4.02 -50.89 2 6 -1 94 316.724 4
Lo Low (pH 4.5-6) 2.81 3.59 -37.51 4 6 1 92 318.74 4

Activity (Go SEA)

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