UCSF

ZINC08846529

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 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) 4.93 -0.24 -12.64 1 5 0 71 436.474 9
Mid Mid (pH 6-8) 5.51 1.64 -36.53 3 5 1 76 437.482 8

Activity (Go SEA)

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