UCSF

ZINC35125629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 1.26 7.04 -43.19 1 4 0 48 266.316 5
Hi High (pH 8-9.5) 1.26 4.76 -45.83 0 4 -1 47 265.308 5

Activity (Go SEA)

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