UCSF

ZINC09421812

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 4.04 -4.89 -16.64 1 7 0 90 410.451 6
Hi High (pH 8-9.5) 4.04 -4.31 -49.71 0 7 -1 92 409.443 6

Activity (Go SEA)

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