UCSF

ZINC42779361

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.36 7.35 -4.79 0 3 0 25 242.75 6
Mid Mid (pH 6-8) 2.36 7.8 -29.93 1 3 1 27 243.758 6

Activity (Go SEA)

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