UCSF

ZINC36318116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 3.69 6.6 -55.87 3 4 1 54 323.203 3
Hi High (pH 8-9.5) 3.69 6.29 -7.86 2 4 0 53 322.195 3

Activity (Go SEA)

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