UCSF

ZINC36991890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.29 7.02 -52.5 3 3 1 61 267.352 4
Hi High (pH 8-9.5) 3.29 6.17 -7.59 2 3 0 56 266.344 4

Activity (Go SEA)

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