UCSF

ZINC34935001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.13 11.76 -51.9 0 8 -1 105 510.567 10
Lo Low (pH 4.5-6) 4.13 11.01 -15.72 1 8 0 102 511.575 10

Activity (Go SEA)

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