UCSF

ZINC00292515

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD01136796

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) 2.67 4.09 -47.08 0 4 -1 61 267.355 4
Mid Mid (pH 6-8) 3.60 4.65 -13.65 1 4 0 62 268.363 3

Activity (Go SEA)

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