UCSF

ZINC37250030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 2.06 4.48 -47 2 3 1 29 253.341 4
Hi High (pH 8-9.5) 2.06 5.67 -40.04 2 3 1 26 253.341 4
Lo Low (pH 4.5-6) 2.06 6.86 -114.73 3 3 2 30 254.349 4

Activity (Go SEA)

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