UCSF

ZINC35433323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 Yes

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) 2.08 8.06 -59.44 0 5 -1 61 244.274 4
Mid Mid (pH 6-8) 2.08 8.8 -34.2 1 5 0 62 245.282 4
Mid Mid (pH 6-8) 2.08 8.51 -45.56 1 5 0 62 245.282 4

Activity (Go SEA)

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