UCSF

ZINC20218880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 1.70 6.88 -61.64 0 7 -1 86 407.446 7
Mid Mid (pH 6-8) 1.70 9.26 -73.07 1 7 0 87 408.454 7
Mid Mid (pH 6-8) 1.70 8.93 -53.66 1 7 0 87 408.454 6
Lo Low (pH 4.5-6) 1.70 8.3 -50.09 2 7 1 84 409.462 7
Lo Low (pH 4.5-6) 1.70 5.99 -13.88 1 7 0 83 408.454 7

Activity (Go SEA)

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