UCSF

ZINC19973907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 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) 2.58 8.64 -74.23 1 7 0 87 398.459 9
Hi High (pH 8-9.5) 2.58 6.11 -60.72 0 7 -1 86 397.451 9
Lo Low (pH 4.5-6) 2.58 7.82 -52.15 2 7 1 84 399.467 9

Activity (Go SEA)

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