UCSF

ZINC06145963

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 30 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) 4.81 11.26 -14.3 0 5 0 76 420.534 5
Mid Mid (pH 6-8) 4.81 11.38 -38.11 1 5 1 78 421.542 5

Activity (Go SEA)

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