UCSF

ZINC13682472

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 3.04 5.03 -17.09 3 7 0 105 418.449 3
Hi High (pH 8-9.5) 3.58 3.11 -40.32 2 7 -1 111 417.441 3

Activity (Go SEA)

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