UCSF

ZINC37854821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.00 0.18 -48.22 3 5 1 62 266.365 6
Hi High (pH 8-9.5) 0.00 -1.01 -6.35 2 5 0 58 265.357 6
Mid Mid (pH 6-8) 0.00 2.5 -116.26 4 5 2 63 267.373 6

Activity (Go SEA)

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