UCSF

ZINC45663417

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

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) 1.99 5.25 -36.18 3 4 1 43 266.409 9
Hi High (pH 8-9.5) 1.99 2.77 -4.57 2 4 0 42 265.401 9
Lo Low (pH 4.5-6) 1.99 7.42 -107.09 4 4 2 44 267.417 9

Activity (Go SEA)

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