UCSF

ZINC37862840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.01 4.5 -99.95 4 4 2 54 242.363 7
Hi High (pH 8-9.5) 1.01 3.4 -35.09 3 4 1 50 241.355 7
Mid Mid (pH 6-8) 1.01 2.67 -38.41 3 4 1 53 241.355 7

Activity (Go SEA)

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