UCSF

ZINC06381477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 31 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) 3.10 7.67 -62.07 0 7 -1 88 422.457 10
Mid Mid (pH 6-8) 3.10 0.62 -13 1 7 0 85 423.465 10
Mid Mid (pH 6-8) 2.51 0.39 -12.02 0 7 0 82 423.465 10

Activity (Go SEA)

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