UCSF

ZINC20500476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 26 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) 1.71 6.51 -50.17 2 8 1 85 378.478 6
Hi High (pH 8-9.5) 1.71 4.11 -49.04 0 8 -1 82 376.462 6

Activity (Go SEA)

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