UCSF

ZINC38001825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.76 7.64 -47.27 2 4 1 46 362.313 5
Hi High (pH 8-9.5) 3.76 6.59 -8.18 1 4 0 42 361.305 5

Activity (Go SEA)

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