UCSF

ZINC06314057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

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) 1.99 8.03 -55.38 0 6 -1 83 365.409 7
Mid Mid (pH 6-8) 2.43 -0.82 -24.72 1 6 0 79 366.417 6
Mid Mid (pH 6-8) 1.40 -0.52 -18.73 0 6 0 76 366.417 7

Activity (Go SEA)

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