UCSF

ZINC13732859

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 4.24 6.35 -22.42 1 8 0 110 486.571 6
Hi High (pH 8-9.5) 4.24 6.44 -55.26 0 8 -1 112 485.563 6

Activity (Go SEA)

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