UCSF

ZINC13595820

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 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) 6.09 8.82 -6.44 1 3 0 45 367.232 2
Ref Reference (pH 7) 5.60 8.72 -35.44 0 3 -1 44 366.224 3
Hi High (pH 8-9.5) 6.55 6.8 -39.95 0 3 -1 48 366.224 2

Activity (Go SEA)

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