UCSF

ZINC13487055

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 16 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) 1.30 2.36 -8.53 4 7 0 116 225.252 5
Mid Mid (pH 6-8) 1.30 -1.3 -30.52 5 7 1 118 226.26 5

Activity (Go SEA)

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