UCSF

ZINC34026419

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 3.00 6.64 -29.84 3 9 0 111 508.6 9
Lo Low (pH 4.5-6) 3.00 7.09 -56.5 4 9 1 112 509.608 9

Activity (Go SEA)

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