UCSF

ZINC11399386

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2007 28 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) 3.96 10.29 -31.9 1 6 0 65 464.747 5
Hi High (pH 8-9.5) 4.15 9.08 -70.76 0 6 -1 72 463.739 5

Activity (Go SEA)

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