UCSF

ZINC29125071

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 32 Yes

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) 5.28 8.78 -50.18 1 6 -1 73 491.058 6
Mid Mid (pH 6-8) 5.28 9.97 -67.11 2 6 0 77 492.066 6
Mid Mid (pH 6-8) 5.28 8.2 -47.67 3 6 1 75 493.074 6

Activity (Go SEA)

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