UCSF

ZINC30822653

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 27 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) 4.59 10.19 -47.95 1 8 -1 120 370.385 8
Mid Mid (pH 6-8) 4.59 9.23 -18.4 2 8 0 117 371.393 8

Activity (Go SEA)

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