UCSF

ZINC70613675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 2.21 4.76 -37.91 4 4 1 63 228.36 4
Hi High (pH 8-9.5) 2.21 2.93 -4.12 3 4 0 62 227.352 4

Activity (Go SEA)

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