UCSF

ZINC00703788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 19 Yes

Other Names:

MFCD04170661

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 4.07 -12.18 1 5 0 75 362.636 2
Mid Mid (pH 6-8) 2.89 3.6 -39.52 0 5 -1 74 361.628 3

Activity (Go SEA)

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