UCSF

ZINC06365163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 3.91 8.42 -65.95 0 6 -1 79 408.474 8
Mid Mid (pH 6-8) 3.91 0.97 -11.92 1 6 0 76 409.482 8
Mid Mid (pH 6-8) 3.32 0.73 -10.68 0 6 0 72 409.482 8

Activity (Go SEA)

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