UCSF

ZINC31863379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 Yes

Other Names:

MFCD11897011

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) 0.67 1.06 -106.99 0 6 -2 102 217.184 3
Mid Mid (pH 6-8) 0.22 2.17 -53.49 1 6 -1 99 218.192 3

Activity (Go SEA)

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