UCSF

ZINC06381210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 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) 3.69 8.86 -65.73 0 6 -1 79 408.474 9
Mid Mid (pH 6-8) 3.69 0.67 -11.89 1 6 0 76 409.482 9
Mid Mid (pH 6-8) 3.10 0.43 -10.63 0 6 0 72 409.482 9

Activity (Go SEA)

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