UCSF

ZINC36635252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 No

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) 1.68 6.33 -20.55 1 7 0 92 362.436 5
Hi High (pH 8-9.5) 1.86 5.32 -46.31 0 7 -1 99 361.428 5

Activity (Go SEA)

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