UCSF

ZINC09041657

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 5.37 11.99 -54.95 0 6 -1 83 491.495 6
Mid Mid (pH 6-8) 5.81 11.98 -21.84 1 6 0 80 492.503 5

Activity (Go SEA)

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