UCSF

ZINC06938610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 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) 1.64 4.36 -15.6 2 7 0 103 367.471 6
Hi High (pH 8-9.5) 2.55 2.18 -55.26 1 7 -1 106 366.463 6

Activity (Go SEA)

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