UCSF

ZINC13732407

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 2.20 8.46 -78.3 1 8 0 93 458.486 9
Hi High (pH 8-9.5) 2.20 5.92 -58.55 0 8 -1 91 457.478 9
Mid Mid (pH 6-8) 2.65 7.28 -67.42 2 8 1 90 459.494 8
Mid Mid (pH 6-8) 1.62 8.25 -74.17 1 8 1 87 459.494 9

Activity (Go SEA)

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