UCSF

ZINC37309724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 Yes

Other Names:

MFCD11539608

WZ-9117

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) 2.87 8.61 -56.97 0 4 -1 58 243.286 2
Mid Mid (pH 6-8) 2.87 9.04 -53.5 1 4 0 59 244.294 2

Activity (Go SEA)

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