UCSF

ZINC37213896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.59 2.43 -45.71 4 5 1 66 255.386 4
Mid Mid (pH 6-8) 0.59 3.03 -40.03 4 5 1 63 255.386 4
Mid Mid (pH 6-8) 0.59 4.23 -126.27 5 5 2 67 256.394 4

Activity (Go SEA)

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