UCSF

ZINC35633697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 3.53 5 -48.97 3 4 1 63 311.471 5
Hi High (pH 8-9.5) 3.53 3.83 -8.3 2 4 0 58 310.463 5

Activity (Go SEA)

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