UCSF

ZINC12447032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 No

Other Names:

MFCD01429070

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) 5.30 10.73 -10.12 0 4 0 38 361.489 3
Ref Reference (pH 7) 5.30 10.21 -11.89 0 4 0 38 361.489 3
Mid Mid (pH 6-8) 5.30 13.03 -42.34 1 4 1 39 362.497 3

Activity (Go SEA)

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