UCSF

ZINC07053664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 25 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) 3.33 -7.57 -15.24 3 6 0 106 382.507 4
Hi High (pH 8-9.5) 3.33 -6.99 -47.18 2 6 -1 108 381.499 4

Activity (Go SEA)

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