UCSF

ZINC17138860

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 29 No

Other Names:

MFCD02229752

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) 1.02 4.61 -63.07 0 7 -1 86 392.435 6
Mid Mid (pH 6-8) 1.02 6.89 -70.53 1 7 0 87 393.443 6
Lo Low (pH 4.5-6) 1.02 6.13 -49.87 2 7 1 84 394.451 6

Activity (Go SEA)

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