UCSF

ZINC00386560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 No

Other Names:

MFCD03779234

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) 3.45 10.82 -59.87 0 4 -1 60 348.422 6
Mid Mid (pH 6-8) 3.45 9.91 -13.08 1 4 0 58 349.43 6

Activity (Go SEA)

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