UCSF

ZINC33799775

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 12 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) -4.72 0.01 -51.75 3 6 -1 109 173.148 2
Mid Mid (pH 6-8) -4.72 1.3 -65.36 4 6 0 113 174.156 2

Activity (Go SEA)

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