UCSF

ZINC20171832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 28 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) 3.51 10.79 -66.65 1 5 0 65 398.528 8
Hi High (pH 8-9.5) 3.51 8.57 -59.94 0 5 -1 64 397.52 8
Lo Low (pH 4.5-6) 3.51 9.97 -44.6 2 5 1 62 399.536 8

Activity (Go SEA)

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