UCSF

ZINC39849498

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 No

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) 1.93 8.4 -58.41 0 10 -1 132 466.47 9
Mid Mid (pH 6-8) 1.93 10.66 -74.89 1 10 0 133 467.478 9
Lo Low (pH 4.5-6) 1.93 9.78 -55.26 2 10 1 130 468.486 9

Activity (Go SEA)

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