UCSF

ZINC37322060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 2.50 6.46 -34.99 2 3 1 30 333.193 3
Lo Low (pH 4.5-6) 2.50 4.92 -41.86 2 3 1 33 333.193 3
Lo Low (pH 4.5-6) 2.50 7.4 -109.9 3 3 2 34 334.201 3

Activity (Go SEA)

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