UCSF

ZINC27880048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 25 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) 1.70 6.42 -49.9 2 6 1 63 363.507 5
Mid Mid (pH 6-8) 1.70 6.51 -43.65 2 6 1 63 363.507 5
Mid Mid (pH 6-8) 1.70 4.18 -11.62 1 6 0 61 362.499 5

Activity (Go SEA)

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