UCSF

ZINC36150121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.61 7.38 -9.26 1 4 0 53 363.255 2
Hi High (pH 8-9.5) 3.52 6.42 -58.13 0 4 -1 56 362.247 2

Activity (Go SEA)

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