UCSF

ZINC37862853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 1.19 4.23 -113.17 4 4 2 54 256.39 8
Mid Mid (pH 6-8) 1.19 2.84 -32.29 3 4 1 50 255.382 8
Mid Mid (pH 6-8) 1.19 1.99 -43.3 3 4 1 53 255.382 8

Activity (Go SEA)

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