UCSF

ZINC22929962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 0.10 6.56 -44.24 1 8 1 64 400.503 5
Mid Mid (pH 6-8) 0.10 6.53 -43.93 1 8 1 64 400.503 5
Mid Mid (pH 6-8) 0.10 4.33 -16.43 0 8 0 63 399.495 5

Activity (Go SEA)

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