UCSF

ZINC37815375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.28 3.86 -48.14 3 4 1 57 267.393 1
Mid Mid (pH 6-8) 2.28 3.95 -5.19 2 4 0 56 266.385 1

Activity (Go SEA)

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