UCSF

ZINC37299602

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) 1.07 5.12 -112.93 5 4 2 61 267.348 7
Mid Mid (pH 6-8) 1.07 4.73 -37.13 4 4 1 60 266.34 7

Activity (Go SEA)

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