UCSF

ZINC78938391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2012 27 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) 5.02 4.23 -14.19 4 6 0 94 493.155 5
Hi High (pH 8-9.5) 5.02 5.76 -97.49 2 6 -2 100 491.139 5
Mid Mid (pH 6-8) 5.02 5 -37.83 3 6 -1 97 492.147 5
Mid Mid (pH 6-8) 5.02 4.99 -36.05 3 6 -1 97 492.147 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.