UCSF

ZINC44679475

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.36 6.37 -77.66 4 3 2 33 253.434 6
Hi High (pH 8-9.5) 1.36 4.03 -36.81 3 3 1 32 252.426 6
Lo Low (pH 4.5-6) 1.36 7.54 -178.89 5 3 3 38 254.442 6
Lo Low (pH 4.5-6) 1.36 5.2 -98.51 4 3 2 36 253.434 6

Activity (Go SEA)

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