UCSF

ZINC04186510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 20 Yes

Other Names:

MFCD04173132

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) 3.07 7.86 -15.89 1 4 0 55 307.444 3
Hi High (pH 8-9.5) 3.14 6.82 -52.56 0 4 -1 61 306.436 3

Activity (Go SEA)

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