UCSF

ZINC44830701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 35 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) 4.48 12.11 -113.18 3 6 2 57 482.665 6
Hi High (pH 8-9.5) 4.48 11.71 -41.9 2 6 1 56 481.657 6
Hi High (pH 8-9.5) 4.48 9.99 -10.76 1 6 0 54 480.649 6

Activity (Go SEA)

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