UCSF

ZINC36318196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.92 7.86 -49.56 3 4 1 54 361.263 4
Hi High (pH 8-9.5) 3.92 7.64 -9.86 2 4 0 53 360.255 4

Activity (Go SEA)

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