UCSF

ZINC58345038

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 1.15 6.78 -34.71 1 4 1 44 242.32 4
Mid Mid (pH 6-8) 1.15 4.65 -7.48 0 4 0 43 241.312 4

Activity (Go SEA)

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