UCSF

ZINC44196982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.91 3.5 -38.04 3 4 0 77 213.208 4
Hi High (pH 8-9.5) -0.91 3.21 -48.97 2 4 -1 75 212.2 4

Activity (Go SEA)

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