UCSF

ZINC32109207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 Yes

Other Names:

MFCD11923662

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) 0.98 4.5 -42.04 3 3 1 48 257.716 4
Mid Mid (pH 6-8) 0.98 4.1 -7.64 2 3 0 46 256.708 4

Activity (Go SEA)

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