UCSF

ZINC70940019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2011 19 Yes

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) 3.02 10.16 -40.08 1 3 1 37 257.357 7
Hi High (pH 8-9.5) 3.02 8.04 -5.33 0 3 0 36 256.349 7

Activity (Go SEA)

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