UCSF

ZINC33777201

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 4.14 13.32 -76.38 1 8 0 93 510.631 13
Hi High (pH 8-9.5) 4.14 10.79 -55.97 0 8 -1 91 509.623 13
Lo Low (pH 4.5-6) 4.14 12.03 -63.39 2 8 1 90 511.639 13

Activity (Go SEA)

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