UCSF

ZINC23018070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 23 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) 1.97 4.41 -14.21 1 7 0 79 347.481 5
Hi High (pH 8-9.5) 1.97 4.04 -43.36 0 7 -1 81 346.473 5

Activity (Go SEA)

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