UCSF

ZINC11858364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 25 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) 2.44 -8.49 -21.52 1 7 0 101 445.316 4
Hi High (pH 8-9.5) 2.44 -7.91 -53.04 0 7 -1 103 444.308 4

Activity (Go SEA)

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