UCSF

ZINC37851883

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) 1.64 5.21 -116.68 4 4 2 51 268.401 8
Hi High (pH 8-9.5) 1.64 1.38 -6.01 2 4 0 45 266.385 8
Mid Mid (pH 6-8) 1.64 3.86 -38.29 3 4 1 46 267.393 8

Activity (Go SEA)

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