UCSF

ZINC04388835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 26 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) 2.42 9.11 -14.21 1 8 0 99 397.526 9
Hi High (pH 8-9.5) 2.61 7.68 -41.85 0 8 -1 105 396.518 9

Activity (Go SEA)

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