UCSF

ZINC03776058

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 20 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) -0.42 -1.64 -13.53 4 7 0 111 279.227 1
Mid Mid (pH 6-8) -0.23 -4.22 -41.82 3 7 -1 117 278.219 1

Activity (Go SEA)

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