UCSF

ZINC19333050

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 2.58 7.05 -52.39 0 6 -1 73 427.427 6
Mid Mid (pH 6-8) 2.58 9.4 -69.74 1 6 0 74 428.435 6
Lo Low (pH 4.5-6) 2.58 8.58 -57.61 2 6 1 71 429.443 6

Activity (Go SEA)

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