UCSF

ZINC09370813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 4.09 10.66 -47.17 0 6 -1 79 428.464 8
Mid Mid (pH 6-8) 3.51 0.35 -22.73 0 6 0 72 429.472 8
Mid Mid (pH 6-8) 4.54 9.34 -29.8 1 6 0 76 429.472 7

Activity (Go SEA)

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