UCSF

ZINC13989362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 3.50 12.3 -38.16 1 3 1 21 360.525 8
Hi High (pH 8-9.5) 3.50 9.93 -5.35 0 3 0 19 359.517 8
Lo Low (pH 4.5-6) 3.50 13.99 -167.02 3 3 3 23 362.541 8

Activity (Go SEA)

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