UCSF

ZINC06328201

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.54 -2.09 -59.34 1 7 -1 112 362.383 7
Hi High (pH 8-9.5) 3.54 -1.55 -109.83 0 7 -2 114 361.375 7

Activity (Go SEA)

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