UCSF

ZINC33813312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 3.37 11.37 -68.3 2 9 0 116 509.603 13
Hi High (pH 8-9.5) 3.37 10.16 -56.12 1 9 -1 115 508.595 13
Lo Low (pH 4.5-6) 3.37 11.06 -52.39 3 9 1 113 510.611 13

Activity (Go SEA)

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