UCSF

ZINC06382547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 4.14 10.45 -57.51 0 5 -1 74 406.845 5
Mid Mid (pH 6-8) 4.58 1.48 -16.43 1 5 0 70 407.853 4
Mid Mid (pH 6-8) 3.55 1.56 -19.93 0 5 0 67 407.853 5

Activity (Go SEA)

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