UCSF

ZINC33590618

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 4.24 12.76 -54.37 1 8 0 93 510.631 14
Hi High (pH 8-9.5) 4.24 10.24 -40.88 0 8 -1 91 509.623 14
Lo Low (pH 4.5-6) 4.24 11.64 -56.57 2 8 1 90 511.639 14

Activity (Go SEA)

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