UCSF

ZINC37266151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) -0.08 6.53 -35.65 3 3 1 40 263.405 4
Hi High (pH 8-9.5) -0.08 4.28 -3.34 2 3 0 38 262.397 4
Mid Mid (pH 6-8) -0.08 6.93 -132.13 4 3 2 41 264.413 4
Mid Mid (pH 6-8) -0.08 5.04 -42.49 3 3 1 40 263.405 4

Activity (Go SEA)

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