UCSF

ZINC35830013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 2.37 4.11 -48.95 1 9 -1 131 437.819 3
Mid Mid (pH 6-8) 2.19 6.61 -20.22 2 9 0 124 438.827 3

Activity (Go SEA)

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