UCSF

ZINC06458947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 35 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) 3.59 2.3 -59.22 1 8 -1 116 478.521 12
Mid Mid (pH 6-8) 3.01 2.61 -60.44 0 8 -1 113 478.521 12

Activity (Go SEA)

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