UCSF

ZINC34964871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 3.44 12.34 -39.64 1 6 1 54 402.559 10
Hi High (pH 8-9.5) 3.44 10.11 -11.63 0 6 0 53 401.551 10

Activity (Go SEA)

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