UCSF

ZINC05888515

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 3.13 9.2 -64.29 0 5 -1 73 361.402 4
Mid Mid (pH 6-8) 3.58 -0.35 -24.24 1 5 0 70 362.41 3
Mid Mid (pH 6-8) 2.55 -0.52 -13.61 0 5 0 67 362.41 4

Activity (Go SEA)

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