UCSF

ZINC34930471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.87 8.81 -57.81 0 8 -1 91 505.591 12
Mid Mid (pH 6-8) 3.87 11.08 -70.5 1 8 0 93 506.599 12
Lo Low (pH 4.5-6) 3.87 10.34 -52.59 2 8 1 90 507.607 12

Activity (Go SEA)

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