UCSF

ZINC36146664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 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) 3.35 8.17 -51.21 2 6 1 59 462.973 9
Hi High (pH 8-9.5) 3.35 6.23 -13.03 1 6 0 58 461.965 9
Lo Low (pH 4.5-6) 3.35 10.5 -126.82 3 6 2 60 463.981 9

Activity (Go SEA)

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