UCSF

ZINC36996339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

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) 2.50 8.16 -30.95 2 3 1 29 282.411 3
Mid Mid (pH 6-8) 2.50 7.19 -32.91 2 3 1 33 282.411 3
Lo Low (pH 4.5-6) 2.50 9.45 -105.03 3 3 2 34 283.419 3

Activity (Go SEA)

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