UCSF

ZINC36853485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.02 1.26 -39.24 3 5 1 63 242.343 6
Hi High (pH 8-9.5) 0.21 -2.17 -42.83 2 5 0 72 241.335 6
Hi High (pH 8-9.5) 0.02 -0.88 -8.3 2 5 0 61 241.335 6
Lo Low (pH 4.5-6) 0.02 2.5 -122.32 4 5 2 67 243.351 6

Activity (Go SEA)

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