UCSF

ZINC46667982

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 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) 3.42 11.3 -49.01 2 7 1 76 469.565 7
Mid Mid (pH 6-8) 3.42 9.03 -17.88 1 7 0 75 468.557 7
Mid Mid (pH 6-8) 3.42 11.3 -48.63 2 7 1 76 469.565 7

Activity (Go SEA)

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