UCSF

ZINC02817433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 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) 3.38 -6.83 -19.8 2 9 0 138 433.467 7
Hi High (pH 8-9.5) 3.38 -5.73 -107.58 0 9 -2 142 431.451 7
Hi High (pH 8-9.5) 3.38 -6.32 -53.07 1 9 -1 140 432.459 7
Hi High (pH 8-9.5) 3.38 -6.25 -49.03 1 9 -1 140 432.459 7

Activity (Go SEA)

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