UCSF

ZINC00351295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 23 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) 2.86 8.95 -55.07 1 5 -1 78 312.345 7
Lo Low (pH 4.5-6) 2.86 7.06 -15.02 2 5 0 76 313.353 7

Activity (Go SEA)

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