UCSF

ZINC06924194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 5.21 8.89 -7.78 1 3 0 45 312.369 2
Ref Reference (pH 7) 4.71 8.32 -45.88 0 3 -1 44 311.361 3
Hi High (pH 8-9.5) 5.66 7.15 -48.96 0 3 -1 48 311.361 2

Activity (Go SEA)

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