UCSF

ZINC18029692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 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) 2.69 7.8 -58.28 0 6 -1 73 423.464 7
Mid Mid (pH 6-8) 2.69 10.07 -77.94 1 6 0 74 424.472 7
Lo Low (pH 4.5-6) 2.69 9.31 -56.04 2 6 1 71 425.48 7

Activity (Go SEA)

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