UCSF

ZINC44888072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -1.27 -2.49 -44.26 2 10 -1 133 312.335 5
Lo Low (pH 4.5-6) -1.27 -2.24 -17.09 3 10 0 135 313.343 5

Activity (Go SEA)

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