UCSF

ZINC06382487

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) 4.70 11.14 -66.16 0 5 -1 70 406.502 7
Mid Mid (pH 6-8) 4.70 1.75 -8.83 1 5 0 66 407.51 7
Mid Mid (pH 6-8) 4.12 1.67 -15.79 0 5 0 63 407.51 7

Activity (Go SEA)

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