UCSF

ZINC34695970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 No

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) 6.92 10.79 -43.61 0 5 -1 64 505.081 11
Lo Low (pH 4.5-6) 6.46 12.88 -12.42 1 5 0 61 506.089 11

Activity (Go SEA)

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