UCSF

ZINC06316121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 25 Yes

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) 2.48 -3.05 -13.45 1 6 0 75 362.451 7
Hi High (pH 8-9.5) 2.48 -2.48 -43.15 0 6 -1 77 361.443 7

Activity (Go SEA)

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