UCSF

ZINC07623793

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2006 29 No

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) 4.18 11.8 -53.42 3 5 1 63 396.555 8
Hi High (pH 8-9.5) 4.18 9.59 -17.45 2 5 0 61 395.547 8

Activity (Go SEA)

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