UCSF

ZINC36370058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 34 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) 1.86 6.22 -19.18 1 9 0 93 465.506 6
Ref Reference (pH 7) 1.86 6.46 -21.53 1 9 0 93 465.506 6
Mid Mid (pH 6-8) 1.86 8.64 -66.23 2 9 1 95 466.514 6
Mid Mid (pH 6-8) 1.86 8.65 -68.43 2 9 1 95 466.514 6

Activity (Go SEA)

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