UCSF

ZINC34940958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.69 6.87 -63.28 0 9 -1 101 509.579 11
Mid Mid (pH 6-8) 2.69 9.14 -74 1 9 0 102 510.587 11
Lo Low (pH 4.5-6) 2.69 8.38 -56.15 2 9 1 99 511.595 11

Activity (Go SEA)

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