UCSF

ZINC00897112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 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) 4.00 -7.09 -15.26 1 8 0 105 472.592 7
Hi High (pH 8-9.5) 4.00 -6.51 -44.98 0 8 -1 107 471.584 7

Activity (Go SEA)

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