UCSF

ZINC19512431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 0.24 2.12 -80.84 5 4 2 59 200.33 5
Hi High (pH 8-9.5) 0.24 -0.26 -35.13 4 4 1 58 199.322 5
Mid Mid (pH 6-8) 0.24 2.11 -96.97 5 4 2 59 200.33 5

Activity (Go SEA)

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