UCSF

ZINC20263105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 2.99 8.17 -59.89 0 9 -1 112 489.504 8
Mid Mid (pH 6-8) 2.99 10.44 -73.5 1 9 0 114 490.512 8
Lo Low (pH 4.5-6) 2.99 9.69 -55.76 2 9 1 111 491.52 8

Activity (Go SEA)

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