UCSF

ZINC02792731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 31 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) 5.03 9.29 -17.17 1 5 0 60 458.408 9
Hi High (pH 8-9.5) 5.09 8.39 -49.22 0 5 -1 67 457.4 9

Activity (Go SEA)

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