UCSF

ZINC59721880

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 22 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) -0.14 4.65 -94.42 4 6 2 73 312.458 3
Hi High (pH 8-9.5) -0.14 1.9 -12.51 2 6 0 70 310.442 3
Mid Mid (pH 6-8) -0.14 4.33 -51.51 3 6 1 71 311.45 3
Mid Mid (pH 6-8) -0.14 2.23 -47.03 3 6 1 71 311.45 3

Activity (Go SEA)

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