UCSF

ZINC06361912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 24 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) 4.21 -2.13 -10.78 1 5 0 64 349.452 8
Hi High (pH 8-9.5) 4.21 -1.55 -43.28 0 5 -1 66 348.444 8

Activity (Go SEA)

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