UCSF

ZINC34944007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.03 10.16 -58.89 0 6 -1 73 467.973 7
Mid Mid (pH 6-8) 4.03 12.42 -76.63 1 6 0 74 468.981 7
Lo Low (pH 4.5-6) 4.03 11.53 -51.58 2 6 1 71 469.989 7

Activity (Go SEA)

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