UCSF

ZINC35125594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 0.13 4.93 -41.95 1 5 0 57 242.319 5
Hi High (pH 8-9.5) 0.13 2.65 -45.09 0 5 -1 56 241.311 5

Activity (Go SEA)

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