UCSF

ZINC70513611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.29 -1.19 -59.34 4 5 1 85 299.416 5
Hi High (pH 8-9.5) 0.29 -1.4 -12.39 3 5 0 84 298.408 5
Lo Low (pH 4.5-6) 0.29 0.24 -49.36 4 5 1 85 299.416 5

Activity (Go SEA)

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