UCSF

ZINC22694068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 1.59 4.3 -21.71 2 6 0 71 361.486 9
Mid Mid (pH 6-8) 1.59 6.39 -58.21 3 6 1 72 362.494 9

Activity (Go SEA)

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