UCSF

ZINC16750630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 37 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) 3.47 8.49 -61.53 0 8 -1 91 505.591 7
Mid Mid (pH 6-8) 3.91 9.72 -62.26 2 8 1 90 507.607 6
Mid Mid (pH 6-8) 2.89 10.74 -66.93 1 8 1 87 507.607 7
Mid Mid (pH 6-8) 3.47 10.83 -77.6 1 8 0 93 506.599 7

Activity (Go SEA)

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