UCSF

ZINC37202069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.57 1.41 -49.69 4 5 1 66 243.375 6
Hi High (pH 8-9.5) 0.57 0.25 -8.78 3 5 0 62 242.367 6
Mid Mid (pH 6-8) 0.57 3.53 -124.12 5 5 2 67 244.383 6
Mid Mid (pH 6-8) 0.57 2.37 -40.64 4 5 1 63 243.375 6

Activity (Go SEA)

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