UCSF

ZINC34999602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 4.38 9.01 -41.37 3 7 1 81 487.661 8
Hi High (pH 8-9.5) 4.38 6.79 -6.25 2 7 0 80 486.653 8
Mid Mid (pH 6-8) 4.38 9.58 -89.31 4 7 2 86 488.669 8

Activity (Go SEA)

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