UCSF

ZINC28296573

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 38 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) 5.43 9.74 -11.86 2 5 0 52 505.662 8
Mid Mid (pH 6-8) 5.43 12.18 -50.04 3 5 1 53 506.67 8
Mid Mid (pH 6-8) 5.43 12.14 -42.27 3 5 1 53 506.67 8

Activity (Go SEA)

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