UCSF

ZINC20309531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 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) 0.99 2.56 -69.21 1 9 -1 115 438.46 7
Mid Mid (pH 6-8) 0.99 3.59 -134.53 0 9 -2 118 437.452 7
Mid Mid (pH 6-8) 0.99 4.9 -78.32 2 9 0 116 439.468 7

Activity (Go SEA)

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