UCSF

ZINC04350944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 27 No

Other Names:

MFCD01465640

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) 7.95 13.17 -6 1 2 0 28 358.529 3
Ref Reference (pH 7) 7.95 13.57 -6.15 1 2 0 28 358.529 3
Mid Mid (pH 6-8) 7.58 13.35 -25.98 1 2 1 26 359.537 3

Activity (Go SEA)

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