UCSF

ZINC12782388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 1.07 4.06 -59.82 3 8 1 86 428.435 6
Mid Mid (pH 6-8) 1.07 4.02 -62.26 3 8 1 86 428.435 6
Mid Mid (pH 6-8) 1.07 1.86 -22.71 2 8 0 85 427.427 6

Activity (Go SEA)

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