UCSF

ZINC33773875

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 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) 3.17 12.35 -65 1 8 0 96 495.62 13
Hi High (pH 8-9.5) 3.17 10.14 -52.28 0 8 -1 95 494.612 13
Lo Low (pH 4.5-6) 3.17 11.07 -55.3 2 8 1 93 496.628 13

Activity (Go SEA)

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