UCSF

ZINC36773658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 28 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) 3.16 9.43 -27.8 1 6 0 65 383.423 5
Hi High (pH 8-9.5) 3.34 8.69 -66.26 0 6 -1 72 382.415 5

Activity (Go SEA)

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